6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C15H24N4O2 — CID 109342983

IUPAC6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-21-9-8-16-15(20)13-10-14(18-11-17-13)19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyHRDJWDBPTFLFCQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.99
Rot. Bonds6

About 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109342983) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109342983
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-21-9-8-16-15(20)13-10-14(18-11-17-13)19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyHRDJWDBPTFLFCQ-UHFFFAOYSA-N
XLogP1.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[6-(cyclohexylamino)pyrimidine-4-carbonyl]amino]acetate
CID 134069591
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
6-(cyclohexylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109341832
N-[2-(4-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341245
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
N-ethyl-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 139297423
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109342983) is 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(NC2CCCCCC2)ncn1.
What is the InChIKey of 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is HRDJWDBPTFLFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-9-8-16-15(20)13-10-14(18-11-17-13)19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).