2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine

C25H33N9O — CID 170324626

IUPAC2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine
SMILESCc1cc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cnc1NCCN(C)C
InChIInChI=1S/C25H33N9O/c1-16-11-19(13-28-23(16)27-6-9-33(3)4)31-25-30-12-18-5-8-34(15-20(18)32-25)21-14-29-24-22(17(21)2)26-7-10-35-24/h11-14,26H,5-10,15H2,1-4H3,(H,27,28)(H,30,31,32)
InChIKeyGKCBDDAAMWWMCG-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.97
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine (PubChem CID 170324626) has the molecular formula C25H33N9O and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine
PubChem CID170324626
Molecular FormulaC25H33N9O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC Name2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine
SMILESCc1cc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cnc1NCCN(C)C
InChIInChI=1S/C25H33N9O/c1-16-11-19(13-28-23(16)27-6-9-33(3)4)31-25-30-12-18-5-8-34(15-20(18)32-25)21-14-29-24-22(17(21)2)26-7-10-35-24/h11-14,26H,5-10,15H2,1-4H3,(H,27,28)(H,30,31,32)
InChIKeyGKCBDDAAMWWMCG-UHFFFAOYSA-N
XLogP2.97
TPSA103.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine (CID 170324626) is 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine is Cc1cc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cnc1NCCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine?
The InChIKey is GKCBDDAAMWWMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O/c1-16-11-19(13-28-23(16)27-6-9-33(3)4)31-25-30-12-18-5-8-34(15-20(18)32-25)21-14-29-24-22(17(21)2)26-7-10-35-24/h11-14,26H,5-10,15H2,1-4H3,(H,27,28)(H,30,31,32).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine has a molecular weight of 475.60 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-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]pyridine-2,5-diamine is sourced from PubChem (CID 170324626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).