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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-[(2,3-dimethylimidazol-4-yl)methyl]ethanamine
CID 45244991
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine
CID 45237769
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
2-methyl-N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83185847
1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine
CID 45186889
N,N,4-trimethyl-5-[1-(propylamino)ethyl]pyrimidin-2-amine
CID 62770147
N-[1-(2-cyclohexyl-4-methylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771560
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428
4-methyl-2-(4-methylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 46345570
(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
CID 103431371
2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 62745632

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).