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

C15H27N5 — CID 114541868

IUPAC5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C15H27N5/c1-6-7-16-15-17-8-11(2)14(18-15)20-9-12(3)19(5)13(4)10-20/h8,12-13H,6-7,9-10H2,1-5H3,(H,16,17,18)
InChIKeyQANCIIVCJAWINJ-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.14
Rot. Bonds4

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

5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 114541868) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID114541868
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C15H27N5/c1-6-7-16-15-17-8-11(2)14(18-15)20-9-12(3)19(5)13(4)10-20/h8,12-13H,6-7,9-10H2,1-5H3,(H,16,17,18)
InChIKeyQANCIIVCJAWINJ-UHFFFAOYSA-N
XLogP2.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine (CID 114541868) is 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine is CCCNc1ncc(C)c(N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is QANCIIVCJAWINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-7-16-15-17-8-11(2)14(18-15)20-9-12(3)19(5)13(4)10-20/h8,12-13H,6-7,9-10H2,1-5H3,(H,16,17,18).
What are the key properties of 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine?
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 114541868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).