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

C15H27N5 — CID 62769429

IUPACN-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C15H27N5/c1-5-6-16-12(2)14-11-17-15(18-13(14)3)20-9-7-19(4)8-10-20/h11-12,16H,5-10H2,1-4H3
InChIKeyCMMCRRFJDRVQQE-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.60
Rot. Bonds5

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

N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 62769429) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID62769429
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C15H27N5/c1-5-6-16-12(2)14-11-17-15(18-13(14)3)20-9-7-19(4)8-10-20/h11-12,16H,5-10H2,1-4H3
InChIKeyCMMCRRFJDRVQQE-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 62769429) is N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is CMMCRRFJDRVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-6-16-12(2)14-11-17-15(18-13(14)3)20-9-7-19(4)8-10-20/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62769429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).