2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine

C14H25N5O — CID 115973290

IUPAC2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
SMILESCc1cc(OC(C)C)nc(N2CCN(CCN)CC2)n1
InChIInChI=1S/C14H25N5O/c1-11(2)20-13-10-12(3)16-14(17-13)19-8-6-18(5-4-15)7-9-19/h10-11H,4-9,15H2,1-3H3
InChIKeyKHNHDJNJZYXQRS-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.65
Rot. Bonds5

About 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine

2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine (PubChem CID 115973290) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
PubChem CID115973290
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
SMILESCc1cc(OC(C)C)nc(N2CCN(CCN)CC2)n1
InChIInChI=1S/C14H25N5O/c1-11(2)20-13-10-12(3)16-14(17-13)19-8-6-18(5-4-15)7-9-19/h10-11H,4-9,15H2,1-3H3
InChIKeyKHNHDJNJZYXQRS-UHFFFAOYSA-N
XLogP0.65
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine 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-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 107160311
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-2-yl]methanamine
CID 115973553
3-[4-(4-ethoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 115973287
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-4-carboxylate
CID 115973681
2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 146132286
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115973583
2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
CID 114682612
3-ethyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115973046
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 112635420
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
1-(2-chloroethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)-1,4-diazepane
CID 115973845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine (CID 115973290) is 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine is Cc1cc(OC(C)C)nc(N2CCN(CCN)CC2)n1.
What is the InChIKey of 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine?
The InChIKey is KHNHDJNJZYXQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)20-13-10-12(3)16-14(17-13)19-8-6-18(5-4-15)7-9-19/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine?
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 115973290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).