N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

C21H27N5O2 — CID 109332901

IUPACN-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C21H27N5O2/c1-14-12-19(26-21(22-14)25-16-8-5-3-4-6-9-16)20(28)24-18-11-7-10-17(13-18)23-15(2)27/h7,10-13,16H,3-6,8-9H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyYMKWTAOWOAXSGM-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.13
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332901) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332901
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C21H27N5O2/c1-14-12-19(26-21(22-14)25-16-8-5-3-4-6-9-16)20(28)24-18-11-7-10-17(13-18)23-15(2)27/h7,10-13,16H,3-6,8-9H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyYMKWTAOWOAXSGM-UHFFFAOYSA-N
XLogP4.13
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109322751
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
N-[3-[[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112909921
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332882
2-(cyclopropylamino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109319783
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (CID 109332901) is N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C)nc(NC3CCCCCC3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is YMKWTAOWOAXSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-12-19(26-21(22-14)25-16-8-5-3-4-6-9-16)20(28)24-18-11-7-10-17(13-18)23-15(2)27/h7,10-13,16H,3-6,8-9H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26).
What are the key properties of N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).