N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

C20H27N5O2 — CID 95084678

IUPACN-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(c2cc(-c3cccc(OC)c3)ncn2)CC1
InChIInChI=1S/C20H27N5O2/c1-4-15(2)23-20(26)25-10-8-24(9-11-25)19-13-18(21-14-22-19)16-6-5-7-17(12-16)27-3/h5-7,12-15H,4,8-11H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyQPJLXPOXIRKGED-OAHLLOKOSA-N
MW369.47 g/mol
LogP2.78
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 95084678) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID95084678
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(c2cc(-c3cccc(OC)c3)ncn2)CC1
InChIInChI=1S/C20H27N5O2/c1-4-15(2)23-20(26)25-10-8-24(9-11-25)19-13-18(21-14-22-19)16-6-5-7-17(12-16)27-3/h5-7,12-15H,4,8-11H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyQPJLXPOXIRKGED-OAHLLOKOSA-N
XLogP2.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103954
2-(4-chlorophenoxy)-1-[4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 50841077
2-ethyl-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 90516855
N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103898
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071560
1-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 50840897
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
4-(3-methoxyphenyl)-6-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 53071564
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethylbutan-1-one
CID 121106877
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 95084678) is N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is CC[C@@H](C)NC(=O)N1CCN(c2cc(-c3cccc(OC)c3)ncn2)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is QPJLXPOXIRKGED-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-15(2)23-20(26)25-10-8-24(9-11-25)19-13-18(21-14-22-19)16-6-5-7-17(12-16)27-3/h5-7,12-15H,4,8-11H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95084678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).