N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C13H23N5 — CID 112887954

IUPACN,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN(CC)c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-4-17(5-2)13-14-7-6-12(15-13)18-10-8-16(3)9-11-18/h6-7H,4-5,8-11H2,1-3H3
InChIKeyJHPKXCHIJDGFGT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.07
Rot. Bonds4

About N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112887954) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112887954
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN(CC)c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-4-17(5-2)13-14-7-6-12(15-13)18-10-8-16(3)9-11-18/h6-7H,4-5,8-11H2,1-3H3
InChIKeyJHPKXCHIJDGFGT-UHFFFAOYSA-N
XLogP1.07
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
2,4-Diaminopyrimidine
CID 67431
2-Methylpyrimidin-4-amine
CID 295763
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-Methylpyrimidine
CID 78748
2,2'-Bipyrimidine
CID 123444
N,N-Dimethylpyrimidin-4-amine
CID 579196

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112887954) is N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CCN(CC)c1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is JHPKXCHIJDGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-17(5-2)13-14-7-6-12(15-13)18-10-8-16(3)9-11-18/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112887954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).