6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C14H23N5 — CID 55188731

IUPAC6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H23N5/c1-3-15-13-10-12(11-4-5-11)16-14(17-13)19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyZAHKVVWGVYNQHV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.54
Rot. Bonds4

About 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 55188731) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID55188731
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H23N5/c1-3-15-13-10-12(11-4-5-11)16-14(17-13)19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyZAHKVVWGVYNQHV-UHFFFAOYSA-N
XLogP1.54
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N,6-dipropylpyrimidin-4-amine
CID 62190377
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 39347700
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
CID 62190556
5-bromo-6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66301524
6-cyclopropyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302169
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352
6-cyclopropyl-2-N,2-N,4-N-triethylpyrimidine-2,4-diamine
CID 55188732
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
6-cyclopropyl-N-ethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402191
N-ethyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973215
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 55188731) is 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CCNc1cc(C2CC2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZAHKVVWGVYNQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-15-13-10-12(11-4-5-11)16-14(17-13)19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 55188731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).