[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone

C22H31N5O2 — CID 131912533

IUPAC[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(CC(C)C)nc(N)n3)CC2(C)C)c1
InChIInChI=1S/C22H31N5O2/c1-15(2)11-16-12-19(25-21(23)24-16)20(28)26-9-10-27(22(3,4)14-26)17-7-6-8-18(13-17)29-5/h6-8,12-13,15H,9-11,14H2,1-5H3,(H2,23,24,25)
InChIKeyXRPGQSQOVNVINH-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.01
Rot. Bonds5

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone (PubChem CID 131912533) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
PubChem CID131912533
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(CC(C)C)nc(N)n3)CC2(C)C)c1
InChIInChI=1S/C22H31N5O2/c1-15(2)11-16-12-19(25-21(23)24-16)20(28)26-9-10-27(22(3,4)14-26)17-7-6-8-18(13-17)29-5/h6-8,12-13,15H,9-11,14H2,1-5H3,(H2,23,24,25)
InChIKeyXRPGQSQOVNVINH-UHFFFAOYSA-N
XLogP3.01
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 131919946
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70752683
(3-methoxyphenyl)-[4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 136579606
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163310197
6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]piperazin-2-one
CID 56874761
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methanone
CID 154563924
1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine
CID 91828450
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 70770006

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone (CID 131912533) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(CC(C)C)nc(N)n3)CC2(C)C)c1.
What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone?
The InChIKey is XRPGQSQOVNVINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-15(2)11-16-12-19(25-21(23)24-16)20(28)26-9-10-27(22(3,4)14-26)17-7-6-8-18(13-17)29-5/h6-8,12-13,15H,9-11,14H2,1-5H3,(H2,23,24,25).
What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone?
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 131912533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).