(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide

C13H19N5O2 — CID 95137623

IUPAC(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESCN1CCc2ncnc(N3CCO[C@H](C(N)=O)C3)c2C1
InChIInChI=1S/C13H19N5O2/c1-17-3-2-10-9(6-17)13(16-8-15-10)18-4-5-20-11(7-18)12(14)19/h8,11H,2-7H2,1H3,(H2,14,19)/t11-/m0/s1
InChIKeyDDIHUBOEHKYOPL-NSHDSACASA-N
MW277.33 g/mol
LogP-0.85
Rot. Bonds2

About (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide

(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide (PubChem CID 95137623) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
PubChem CID95137623
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESCN1CCc2ncnc(N3CCO[C@H](C(N)=O)C3)c2C1
InChIInChI=1S/C13H19N5O2/c1-17-3-2-10-9(6-17)13(16-8-15-10)18-4-5-20-11(7-18)12(14)19/h8,11H,2-7H2,1H3,(H2,14,19)/t11-/m0/s1
InChIKeyDDIHUBOEHKYOPL-NSHDSACASA-N
XLogP-0.85
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide (CID 95137623) is (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide is CN1CCc2ncnc(N3CCO[C@H](C(N)=O)C3)c2C1.
What is the InChIKey of (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The InChIKey is DDIHUBOEHKYOPL-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17-3-2-10-9(6-17)13(16-8-15-10)18-4-5-20-11(7-18)12(14)19/h8,11H,2-7H2,1H3,(H2,14,19)/t11-/m0/s1.
What are the key properties of (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95137623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).