N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide

C15H22N4O — CID 53014749

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)C1CCCCC1
InChIInChI=1S/C15H22N4O/c20-14(12-6-2-1-3-7-12)18-13-10-16-15(17-11-13)19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
InChIKeyHJSOUFOWOSWPKV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.60
Rot. Bonds3

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide (PubChem CID 53014749) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide
PubChem CID53014749
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)C1CCCCC1
InChIInChI=1S/C15H22N4O/c20-14(12-6-2-1-3-7-12)18-13-10-16-15(17-11-13)19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20)
InChIKeyHJSOUFOWOSWPKV-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide (CID 53014749) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide is O=C(Nc1cnc(N2CCCC2)nc1)C1CCCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide?
The InChIKey is HJSOUFOWOSWPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14(12-6-2-1-3-7-12)18-13-10-16-15(17-11-13)19-8-4-5-9-19/h10-12H,1-9H2,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 53014749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).