5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

C15H27N5 — CID 114541813

IUPAC5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C15H27N5/c1-6-7-13-17-14(16)12(4)15(18-13)20-8-10(2)19(5)11(3)9-20/h10-11H,6-9H2,1-5H3,(H2,16,17,18)
InChIKeyZOYUXWJAQTVYAY-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.85
Rot. Bonds3

About 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114541813) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114541813
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C15H27N5/c1-6-7-13-17-14(16)12(4)15(18-13)20-8-10(2)19(5)11(3)9-20/h10-11H,6-9H2,1-5H3,(H2,16,17,18)
InChIKeyZOYUXWJAQTVYAY-UHFFFAOYSA-N
XLogP1.85
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541811
[1-(6-amino-5-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80977068
2-tert-butyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541823
5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80983578
6-(2,5-dimethylmorpholin-4-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80993714
6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 83224110
6-(3,3-diethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80992705
5-methyl-6-(1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985559
2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226730
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80992252
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 104961762
2-ethyl-5-methyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80982790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 114541813) is 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is CCCc1nc(N)c(C)c(N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZOYUXWJAQTVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-7-13-17-14(16)12(4)15(18-13)20-8-10(2)19(5)11(3)9-20/h10-11H,6-9H2,1-5H3,(H2,16,17,18).
What are the key properties of 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114541813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).