N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C18H28N4O2 — CID 136665387

IUPACN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCc1nc(CCNC(=O)C2(N3CCCC3)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-14-20-15(13-16(23)21-14)7-10-19-17(24)18(8-3-2-4-9-18)22-11-5-6-12-22/h13H,2-12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeySXTRYUFSCNZIBG-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 136665387) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID136665387
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCc1nc(CCNC(=O)C2(N3CCCC3)CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C18H28N4O2/c1-14-20-15(13-16(23)21-14)7-10-19-17(24)18(8-3-2-4-9-18)22-11-5-6-12-22/h13H,2-12H2,1H3,(H,19,24)(H,20,21,23)
InChIKeySXTRYUFSCNZIBG-UHFFFAOYSA-N
XLogP1.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 136665387) is N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is Cc1nc(CCNC(=O)C2(N3CCCC3)CCCCC2)cc(=O)[nH]1.
What is the InChIKey of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is SXTRYUFSCNZIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-20-15(13-16(23)21-14)7-10-19-17(24)18(8-3-2-4-9-18)22-11-5-6-12-22/h13H,2-12H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 136665387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).