(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide

C15H23N3O3 — CID 140664434

IUPAC(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide
SMILESCC[C@H](C)CCC(=O)NCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C15H23N3O3/c1-3-10(2)4-5-14(19)16-8-13-17-12-6-7-21-9-11(12)15(20)18-13/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyBUAGCGZKQNGZIT-JTQLQIEISA-N
MW293.37 g/mol
LogP1.29
Rot. Bonds6

About (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide

(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide (PubChem CID 140664434) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide
PubChem CID140664434
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide
SMILESCC[C@H](C)CCC(=O)NCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C15H23N3O3/c1-3-10(2)4-5-14(19)16-8-13-17-12-6-7-21-9-11(12)15(20)18-13/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)/t10-/m0/s1
InChIKeyBUAGCGZKQNGZIT-JTQLQIEISA-N
XLogP1.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide with MolForge

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Related Compounds

2-((isobutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244071
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2-(Methylaminomethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136244073
2-[(Cyclopropylmethyl-amino)-methyl]-3,5,7,8-tetrahydro-pyrano[4,3-d]pyrimidin-4-one
CID 136244074
2-((neopentylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627190
N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627212
(R)-2-((1-cyclopropylethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627222
2-[(1-Cyclopropylethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627223
(S)-2-((sec-butylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627225
2-[(Butan-2-ylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627226
(S)-2-((2-methylbutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627230
2-[(2-Methylbutylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136627231

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide?
The IUPAC name of (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide (CID 140664434) is (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide.
What is the SMILES notation for (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide?
The canonical SMILES for (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide is CC[C@H](C)CCC(=O)NCc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide?
The InChIKey is BUAGCGZKQNGZIT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-10(2)4-5-14(19)16-8-13-17-12-6-7-21-9-11(12)15(20)18-13/h10H,3-9H2,1-2H3,(H,16,19)(H,17,18,20)/t10-/m0/s1.
What are the key properties of (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide?
(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide has a molecular weight of 293.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide is sourced from PubChem (CID 140664434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).