N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide

C16H22N4O2 — CID 110429816

IUPACN-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)NC3CCCCC3)c(C)nc2[nH]1
InChIInChI=1S/C16H22N4O2/c1-10-8-13-15(17-10)18-11(2)20(16(13)22)9-14(21)19-12-6-4-3-5-7-12/h8,12,17H,3-7,9H2,1-2H3,(H,19,21)
InChIKeyNMWLAMQHWZSMME-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.79
Rot. Bonds3

About N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide

N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 110429816) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID110429816
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)NC3CCCCC3)c(C)nc2[nH]1
InChIInChI=1S/C16H22N4O2/c1-10-8-13-15(17-10)18-11(2)20(16(13)22)9-14(21)19-12-6-4-3-5-7-12/h8,12,17H,3-7,9H2,1-2H3,(H,19,21)
InChIKeyNMWLAMQHWZSMME-UHFFFAOYSA-N
XLogP1.79
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
N-benzyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429851
N-cycloheptyl-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680359
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CID 50834031
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
N-cyclohexyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768332
2-(2-benzyl-4-oxoquinazolin-3-yl)-N-cyclohexylacetamide
CID 1462734
N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 657449
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 87050345
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-cyclopentyl-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665559

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (CID 110429816) is N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc2c(=O)n(CC(=O)NC3CCCCC3)c(C)nc2[nH]1.
What is the InChIKey of N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is NMWLAMQHWZSMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-8-13-15(17-10)18-11(2)20(16(13)22)9-14(21)19-12-6-4-3-5-7-12/h8,12,17H,3-7,9H2,1-2H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 110429816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).