4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide

C19H25N5O2 — CID 42473670

IUPAC4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-14(2)26-18-13-17(20-15(3)21-18)23-9-11-24(12-10-23)19(25)22-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
InChIKeyKKWBBHDYIKWICG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.93
Rot. Bonds4

About 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide

4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 42473670) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID42473670
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
SMILESCc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-14(2)26-18-13-17(20-15(3)21-18)23-9-11-24(12-10-23)19(25)22-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
InChIKeyKKWBBHDYIKWICG-UHFFFAOYSA-N
XLogP2.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42473390
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42065406
N-(4-methylphenyl)-4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122342274
N-(3-chlorophenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001299
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
N-(3,4-dimethylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748089
N-(3,4-dimethylphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 50747897

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide (CID 42473670) is 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide is Cc1nc(OC(C)C)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1.
What is the InChIKey of 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is KKWBBHDYIKWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(2)26-18-13-17(20-15(3)21-18)23-9-11-24(12-10-23)19(25)22-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,22,25).
What are the key properties of 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide?
4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 42473670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).