(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C18H25N7O — CID 146090926

IUPAC(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cnc(C)nc3N)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H25N7O/c1-11(2)17-21-12(3)9-15(23-17)24-5-7-25(8-6-24)18(26)14-10-20-13(4)22-16(14)19/h9-11H,5-8H2,1-4H3,(H2,19,20,22)
InChIKeyGJNXCYMWRSQBNP-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.55
Rot. Bonds3

About (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 146090926) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID146090926
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3cnc(C)nc3N)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H25N7O/c1-11(2)17-21-12(3)9-15(23-17)24-5-7-25(8-6-24)18(26)14-10-20-13(4)22-16(14)19/h9-11H,5-8H2,1-4H3,(H2,19,20,22)
InChIKeyGJNXCYMWRSQBNP-UHFFFAOYSA-N
XLogP1.55
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-4-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146098918
(3-aminophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119837058
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 154839242
(3-ethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 146107545
(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56560419
(2,5-dimethoxyphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 26953730
(1-aminocyclohexyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 119837069
1H-indazol-3-yl-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 25334509
N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 31669174
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41429722
(4,5-dibromothiophen-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46637353

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 146090926) is (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3cnc(C)nc3N)CC2)nc(C(C)C)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GJNXCYMWRSQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-11(2)17-21-12(3)9-15(23-17)24-5-7-25(8-6-24)18(26)14-10-20-13(4)22-16(14)19/h9-11H,5-8H2,1-4H3,(H2,19,20,22).
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 146090926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).