6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide

C18H22N4O2 — CID 46880838

IUPAC6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H22N4O2/c23-11-13-6-8-15(9-7-13)22-18(24)16-10-17(20-12-19-16)21-14-4-2-1-3-5-14/h6-10,12,14,23H,1-5,11H2,(H,22,24)(H,19,20,21)
InChIKeyPKIVOALPEIWBSN-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.97
Rot. Bonds5

About 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 46880838) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID46880838
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H22N4O2/c23-11-13-6-8-15(9-7-13)22-18(24)16-10-17(20-12-19-16)21-14-4-2-1-3-5-14/h6-10,12,14,23H,1-5,11H2,(H,22,24)(H,19,20,21)
InChIKeyPKIVOALPEIWBSN-UHFFFAOYSA-N
XLogP2.97
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide (CID 46880838) is 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(CO)cc1)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is PKIVOALPEIWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-11-13-6-8-15(9-7-13)22-18(24)16-10-17(20-12-19-16)21-14-4-2-1-3-5-14/h6-10,12,14,23H,1-5,11H2,(H,22,24)(H,19,20,21).
What are the key properties of 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46880838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).