N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

C20H27N5O2 — CID 30938906

IUPACN-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-14(2)19-21-15(3)13-18(23-19)24-9-11-25(12-10-24)20(26)22-16-5-7-17(27-4)8-6-16/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)
InChIKeyRYQTWMFLUVJHQG-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.27
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 30938906) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID30938906
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-14(2)19-21-15(3)13-18(23-19)24-9-11-25(12-10-24)20(26)22-16-5-7-17(27-4)8-6-16/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)
InChIKeyRYQTWMFLUVJHQG-UHFFFAOYSA-N
XLogP3.27
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 55698461
N-(2-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734888
N-(3-chlorophenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734883
(2,5-dimethoxyphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 26953730
4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47001646
N-(2-methoxyethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 51074345
(3S)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 34307806
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 55457720
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55835823
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 56700336

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 30938906) is N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is RYQTWMFLUVJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)19-21-15(3)13-18(23-19)24-9-11-25(12-10-24)20(26)22-16-5-7-17(27-4)8-6-16/h5-8,13-14H,9-12H2,1-4H3,(H,22,26).
What are the key properties of N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 30938906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).