6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C19H24N4O2 — CID 109341918

IUPAC6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-25-16-10-8-15(9-11-16)23-19(24)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyRXRMUIPOMBHTPT-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.87
Rot. Bonds6

About 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109341918) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109341918
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-25-16-10-8-15(9-11-16)23-19(24)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyRXRMUIPOMBHTPT-UHFFFAOYSA-N
XLogP3.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109341918) is 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is RXRMUIPOMBHTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-16-10-8-15(9-11-16)23-19(24)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,2-7H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).