2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

C15H27N5 — CID 83185847

IUPAC2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCN(C)CC2)ncc1CNC(C)(C)C
InChIInChI=1S/C15H27N5/c1-12-13(11-17-15(2,3)4)10-16-14(18-12)20-8-6-19(5)7-9-20/h10,17H,6-9,11H2,1-5H3
InChIKeyMFGASMXLOCXKHJ-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83185847) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83185847
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCN(C)CC2)ncc1CNC(C)(C)C
InChIInChI=1S/C15H27N5/c1-12-13(11-17-15(2,3)4)10-16-14(18-12)20-8-6-19(5)7-9-20/h10,17H,6-9,11H2,1-5H3
InChIKeyMFGASMXLOCXKHJ-UHFFFAOYSA-N
XLogP1.42
TPSA44.29 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine (CID 83185847) is 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(N2CCN(C)CC2)ncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is MFGASMXLOCXKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12-13(11-17-15(2,3)4)10-16-14(18-12)20-8-6-19(5)7-9-20/h10,17H,6-9,11H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83185847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).