3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine

C27H35N9O2 — CID 170324318

IUPAC3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
SMILESCc1cc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cnc1NCCN1CCOCC1
InChIInChI=1S/C27H35N9O2/c1-18-13-21(15-30-25(18)29-4-7-35-8-11-37-12-9-35)33-27-32-14-20-3-6-36(17-22(20)34-27)23-16-31-26-24(19(23)2)28-5-10-38-26/h13-16,28H,3-12,17H2,1-2H3,(H,29,30)(H,32,33,34)
InChIKeyMYUPEKNRBHYCSY-UHFFFAOYSA-N
MW517.64 g/mol
LogP2.74
Rot. Bonds7

About 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine

3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine (PubChem CID 170324318) has the molecular formula C27H35N9O2 and a molecular weight of 517.64 g/mol. Its IUPAC name is 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
PubChem CID170324318
Molecular FormulaC27H35N9O2
Molecular Weight517.64 g/mol
Exact Mass517.29
IUPAC Name3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
SMILESCc1cc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cnc1NCCN1CCOCC1
InChIInChI=1S/C27H35N9O2/c1-18-13-21(15-30-25(18)29-4-7-35-8-11-37-12-9-35)33-27-32-14-20-3-6-36(17-22(20)34-27)23-16-31-26-24(19(23)2)28-5-10-38-26/h13-16,28H,3-12,17H2,1-2H3,(H,29,30)(H,32,33,34)
InChIKeyMYUPEKNRBHYCSY-UHFFFAOYSA-N
XLogP2.74
TPSA112.59 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
6-(2-Morpholinoethylamino)-4-(4-phenoxyphenylamino)-1,7-naphthyridine-3-carbonitrile
CID 44405504
4-(2-(6-Methoxypyridin-3-ylamino)-5-(morpholinomethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 49785083
4-[2-[(6-Methoxy-3-pyridinyl)amino]-5-(piperazin-1-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 49785828
5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CID 53322732
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
1-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 57495355
4-(2-(6-Methoxypyridin-3-ylamino)-5-(piperidin-1-ylmethyl)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548177

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine (CID 170324318) is 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine is Cc1cc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cnc1NCCN1CCOCC1.
What is the InChIKey of 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine?
The InChIKey is MYUPEKNRBHYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N9O2/c1-18-13-21(15-30-25(18)29-4-7-35-8-11-37-12-9-35)33-27-32-14-20-3-6-36(17-22(20)34-27)23-16-31-26-24(19(23)2)28-5-10-38-26/h13-16,28H,3-12,17H2,1-2H3,(H,29,30)(H,32,33,34).
What are the key properties of 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine?
3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine has a molecular weight of 517.64 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 170324318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).