6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

C19H24N4O2 — CID 109341235

IUPAC6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NC3CCCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-16-8-6-14(7-9-16)10-11-20-19(24)17-12-18(22-13-21-17)23-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWQGJWDFBUFFNCP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.81
Rot. Bonds7

About 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109341235) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109341235
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NC3CCCC3)ncn2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-16-8-6-14(7-9-16)10-11-20-19(24)17-12-18(22-13-21-17)23-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWQGJWDFBUFFNCP-UHFFFAOYSA-N
XLogP2.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
N-[2-(4-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341245
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109342983
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274
6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845
methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
CID 134069591

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109341235) is 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(NC3CCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is WQGJWDFBUFFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-16-8-6-14(7-9-16)10-11-20-19(24)17-12-18(22-13-21-17)23-15-4-2-3-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109341235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).