N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C23H31N5O — CID 109372608

IUPACN-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCCC2)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H31N5O/c1-18-24-21(23(29)26-19-9-5-2-3-6-10-19)17-22(25-18)28-15-13-27(14-16-28)20-11-7-4-8-12-20/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3,(H,26,29)
InChIKeyTYNLLNBVICQYEG-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.56
Rot. Bonds4

About N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109372608) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109372608
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCCC2)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H31N5O/c1-18-24-21(23(29)26-19-9-5-2-3-6-10-19)17-22(25-18)28-15-13-27(14-16-28)20-11-7-4-8-12-20/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3,(H,26,29)
InChIKeyTYNLLNBVICQYEG-UHFFFAOYSA-N
XLogP3.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
N-cycloheptyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109373974
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360632
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109372608) is N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NC2CCCCCC2)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is TYNLLNBVICQYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-18-24-21(23(29)26-19-9-5-2-3-6-10-19)17-22(25-18)28-15-13-27(14-16-28)20-11-7-4-8-12-20/h4,7-8,11-12,17,19H,2-3,5-6,9-10,13-16H2,1H3,(H,26,29).
What are the key properties of N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).