[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C15H25N5O — CID 109302252

IUPAC[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)CCNc1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-12(2)4-6-16-15-17-7-5-13(18-15)14(21)20-10-8-19(3)9-11-20/h5,7,12H,4,6,8-11H2,1-3H3,(H,16,17,18)
InChIKeyRONMPLIHALFCLQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds5

About [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109302252) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109302252
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)CCNc1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C15H25N5O/c1-12(2)4-6-16-15-17-7-5-13(18-15)14(21)20-10-8-19(3)9-11-20/h5,7,12H,4,6,8-11H2,1-3H3,(H,16,17,18)
InChIKeyRONMPLIHALFCLQ-UHFFFAOYSA-N
XLogP1.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(3-methylbutylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310281
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310655
(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109309440
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109311178
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
(2-ethylpiperidin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109311738
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109311740

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109302252) is [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CC(C)CCNc1nccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RONMPLIHALFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(2)4-6-16-15-17-7-5-13(18-15)14(21)20-10-8-19(3)9-11-20/h5,7,12H,4,6,8-11H2,1-3H3,(H,16,17,18).
What are the key properties of [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109302252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).