N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide

C16H25N3O3 — CID 100632446

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1
InChIInChI=1S/C16H25N3O3/c1-11-5-4-6-14(12(11)2)18-15(20)8-19-10-17-13(9-22-3)7-16(19)21/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,18,20)/t11-,12+,14-/m1/s1
InChIKeyKKCXOGQVIBYPRR-MBNYWOFBSA-N
MW307.39 g/mol
LogP1.33
Rot. Bonds5

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 100632446) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID100632446
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1
InChIInChI=1S/C16H25N3O3/c1-11-5-4-6-14(12(11)2)18-15(20)8-19-10-17-13(9-22-3)7-16(19)21/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,18,20)/t11-,12+,14-/m1/s1
InChIKeyKKCXOGQVIBYPRR-MBNYWOFBSA-N
XLogP1.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide with MolForge

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 11870221
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 8008576
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 5135668
ethyl 3-[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 11923265
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 124737330
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-3-yl)acetamide
CID 98688861
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
N-(2,3-dimethylcyclohexyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 18195140
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542887

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide (CID 100632446) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is KKCXOGQVIBYPRR-MBNYWOFBSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-5-4-6-14(12(11)2)18-15(20)8-19-10-17-13(9-22-3)7-16(19)21/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,18,20)/t11-,12+,14-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(methoxymethyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 100632446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).