N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine

C16H29N5 — CID 80940402

IUPACN-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCN(CCC)CC2)n1
InChIInChI=1S/C16H29N5/c1-4-7-14-18-15(17-6-3)13-16(19-14)21-11-9-20(8-5-2)10-12-21/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyNIAUCHPEQRRSEG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.39
Rot. Bonds7

About N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine

N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80940402) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80940402
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(N2CCN(CCC)CC2)n1
InChIInChI=1S/C16H29N5/c1-4-7-14-18-15(17-6-3)13-16(19-14)21-11-9-20(8-5-2)10-12-21/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyNIAUCHPEQRRSEG-UHFFFAOYSA-N
XLogP2.39
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-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

2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393
N-ethyl-2-propyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80943564
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
N-ethyl-6-(4-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80944664
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
1-[4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80933087
2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80779556
6-(4-butan-2-ylpiperazin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80940626
N-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 107396346
N,2-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80935088
(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine (CID 80940402) is N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine is CCCc1nc(NCC)cc(N2CCN(CCC)CC2)n1.
What is the InChIKey of N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is NIAUCHPEQRRSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-7-14-18-15(17-6-3)13-16(19-14)21-11-9-20(8-5-2)10-12-21/h13H,4-12H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80940402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).