4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine

C11H19N5 — CID 80834207

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCC1CN(c2ccnc(N)n2)CCN1C
InChIInChI=1S/C11H19N5/c1-3-9-8-16(7-6-15(9)2)10-4-5-13-11(12)14-10/h4-5,9H,3,6-8H2,1-2H3,(H2,12,13,14)
InChIKeyNPLJIOGDPJXZIK-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.59
Rot. Bonds2

About 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80834207) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80834207
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCC1CN(c2ccnc(N)n2)CCN1C
InChIInChI=1S/C11H19N5/c1-3-9-8-16(7-6-15(9)2)10-4-5-13-11(12)14-10/h4-5,9H,3,6-8H2,1-2H3,(H2,12,13,14)
InChIKeyNPLJIOGDPJXZIK-UHFFFAOYSA-N
XLogP0.59
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 80834207) is 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine is CCC1CN(c2ccnc(N)n2)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is NPLJIOGDPJXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-3-9-8-16(7-6-15(9)2)10-4-5-13-11(12)14-10/h4-5,9H,3,6-8H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80834207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).