4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C15H27N5 — CID 112913833

IUPAC4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(C)CC2)nc(NCCC(C)C)n1
InChIInChI=1S/C15H27N5/c1-12(2)5-6-16-15-17-13(3)11-14(18-15)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyCYXGLOPEKFXQDE-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.99
Rot. Bonds5

About 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112913833) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112913833
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(C)CC2)nc(NCCC(C)C)n1
InChIInChI=1S/C15H27N5/c1-12(2)5-6-16-15-17-13(3)11-14(18-15)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyCYXGLOPEKFXQDE-UHFFFAOYSA-N
XLogP1.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
4-methyl-6-piperazin-1-yl-N-propylpyrimidin-2-amine
CID 80837570
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 112908701
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
4-methyl-N-(2-morpholin-4-ylethyl)-6-piperidin-1-ylpyrimidin-2-amine
CID 112909978
4-[2-(butylamino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112908286
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112913833) is 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCN(C)CC2)nc(NCCC(C)C)n1.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is CYXGLOPEKFXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)5-6-16-15-17-13(3)11-14(18-15)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112913833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).