2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine

C13H23N5 — CID 63986417

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
SMILESCC(C)N1CCN(C(CN)c2ccncn2)CC1
InChIInChI=1S/C13H23N5/c1-11(2)17-5-7-18(8-6-17)13(9-14)12-3-4-15-10-16-12/h3-4,10-11,13H,5-9,14H2,1-2H3
InChIKeyAABSJMMONSYGJW-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.50
Rot. Bonds4

About 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine

2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine (PubChem CID 63986417) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
PubChem CID63986417
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine
SMILESCC(C)N1CCN(C(CN)c2ccncn2)CC1
InChIInChI=1S/C13H23N5/c1-11(2)17-5-7-18(8-6-17)13(9-14)12-3-4-15-10-16-12/h3-4,10-11,13H,5-9,14H2,1-2H3
InChIKeyAABSJMMONSYGJW-UHFFFAOYSA-N
XLogP0.50
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine 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

4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681476
1-(4,6-Dimethyl-2-pyrimidyl)piperazine
CID 2758651
2-(4-Pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 16012369
4-Tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 25128830
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
4-Ethyl-6-[3-(ethylamino)azetidin-1-yl]pyrimidin-2-amine
CID 155562440
4-Tert-butyl-6-piperazin-1-yl-2-pyrrol-1-ylpyrimidine
CID 44568855
N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine (CID 63986417) is 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine is CC(C)N1CCN(C(CN)c2ccncn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
The InChIKey is AABSJMMONSYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)17-5-7-18(8-6-17)13(9-14)12-3-4-15-10-16-12/h3-4,10-11,13H,5-9,14H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine?
2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-2-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63986417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).