(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide

C13H19N5O2 — CID 70980168

IUPAC(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C)C(=O)N2C
InChIInChI=1S/C13H19N5O2/c1-8(14-2)12(19)16-11-6-5-10-9(15-11)7-17(3)13(20)18(10)4/h5-6,8,14H,7H2,1-4H3,(H,15,16,19)/t8-/m0/s1
InChIKeyCXCFXGRTMOQYJQ-QMMMGPOBSA-N
MW277.33 g/mol
LogP0.63
Rot. Bonds3

About (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide

(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide (PubChem CID 70980168) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
PubChem CID70980168
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C)C(=O)N2C
InChIInChI=1S/C13H19N5O2/c1-8(14-2)12(19)16-11-6-5-10-9(15-11)7-17(3)13(20)18(10)4/h5-6,8,14H,7H2,1-4H3,(H,15,16,19)/t8-/m0/s1
InChIKeyCXCFXGRTMOQYJQ-QMMMGPOBSA-N
XLogP0.63
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide (CID 70980168) is (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C)C(=O)N2C.
What is the InChIKey of (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
The InChIKey is CXCFXGRTMOQYJQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8(14-2)12(19)16-11-6-5-10-9(15-11)7-17(3)13(20)18(10)4/h5-6,8,14H,7H2,1-4H3,(H,15,16,19)/t8-/m0/s1.
What are the key properties of (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
(2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide has a molecular weight of 277.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-dimethyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 70980168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).