(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide

C14H21N5O2 — CID 70982189

IUPAC(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2
InChIInChI=1S/C14H21N5O2/c1-8(2)19-7-11-10(17-14(19)21)5-6-12(16-11)18-13(20)9(3)15-4/h5-6,8-9,15H,7H2,1-4H3,(H,17,21)(H,16,18,20)/t9-/m0/s1
InChIKeyPNMAQVMJAJLUJR-VIFPVBQESA-N
MW291.36 g/mol
LogP1.38
Rot. Bonds4

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

(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide (PubChem CID 70982189) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
PubChem CID70982189
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2
InChIInChI=1S/C14H21N5O2/c1-8(2)19-7-11-10(17-14(19)21)5-6-12(16-11)18-13(20)9(3)15-4/h5-6,8-9,15H,7H2,1-4H3,(H,17,21)(H,16,18,20)/t9-/m0/s1
InChIKeyPNMAQVMJAJLUJR-VIFPVBQESA-N
XLogP1.38
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide (CID 70982189) is (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)C)C(=O)N2.
What is the InChIKey of (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
The InChIKey is PNMAQVMJAJLUJR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8(2)19-7-11-10(17-14(19)21)5-6-12(16-11)18-13(20)9(3)15-4/h5-6,8-9,15H,7H2,1-4H3,(H,17,21)(H,16,18,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
(2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide has a molecular weight of 291.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(2-oxo-3-propan-2-yl-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 70982189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).