2-N,3-dimethyl-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

C28H37N9O2 — CID 170324501

IUPAC2-N,3-dimethyl-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)cnc1N(C)CCN1CCOCC1
InChIInChI=1S/C28H37N9O2/c1-19-14-22(16-30-26(19)35(3)7-8-36-9-12-38-13-10-36)33-28-32-15-21-4-6-37(18-23(21)34-28)24-17-31-27-25(20(24)2)29-5-11-39-27/h14-17,29H,4-13,18H2,1-3H3,(H,32,33,34)
InChIKeyWAKWNNYDRADTAN-UHFFFAOYSA-N
MW531.67 g/mol
LogP2.76
Rot. Bonds7

About 2-N,3-dimethyl-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

2-N,3-dimethyl-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 170324501) has the molecular formula C28H37N9O2 and a molecular weight of 531.67 g/mol. Its IUPAC name is 2-N,3-dimethyl-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 Name2-N,3-dimethyl-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 CID170324501
Molecular FormulaC28H37N9O2
Molecular Weight531.67 g/mol
Exact Mass531.31
IUPAC Name2-N,3-dimethyl-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)cnc1N(C)CCN1CCOCC1
InChIInChI=1S/C28H37N9O2/c1-19-14-22(16-30-26(19)35(3)7-8-36-9-12-38-13-10-36)33-28-32-15-21-4-6-37(18-23(21)34-28)24-17-31-27-25(20(24)2)29-5-11-39-27/h14-17,29H,4-13,18H2,1-3H3,(H,32,33,34)
InChIKeyWAKWNNYDRADTAN-UHFFFAOYSA-N
XLogP2.76
TPSA103.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.67
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N,3-dimethyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-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 2-N,3-dimethyl-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 170324501) is 2-N,3-dimethyl-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 2-N,3-dimethyl-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 2-N,3-dimethyl-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)cnc1N(C)CCN1CCOCC1.
What is the InChIKey of 2-N,3-dimethyl-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 WAKWNNYDRADTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N9O2/c1-19-14-22(16-30-26(19)35(3)7-8-36-9-12-38-13-10-36)33-28-32-15-21-4-6-37(18-23(21)34-28)24-17-31-27-25(20(24)2)29-5-11-39-27/h14-17,29H,4-13,18H2,1-3H3,(H,32,33,34).
What are the key properties of 2-N,3-dimethyl-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?
2-N,3-dimethyl-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 531.67 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-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 170324501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).