N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine

C12H21N5 — CID 58227230

IUPACN-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)9-15-12-14-4-3-11(16-12)17-7-5-13-6-8-17/h3-4,10,13H,5-9H2,1-2H3,(H,14,15,16)
InChIKeyHDAPAMWFKVMXKW-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.95
Rot. Bonds4

About N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine

N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 58227230) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID58227230
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESCC(C)CNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-10(2)9-15-12-14-4-3-11(16-12)17-7-5-13-6-8-17/h3-4,10,13H,5-9H2,1-2H3,(H,14,15,16)
InChIKeyHDAPAMWFKVMXKW-UHFFFAOYSA-N
XLogP0.95
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine (CID 58227230) is N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine is CC(C)CNc1nccc(N2CCNCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is HDAPAMWFKVMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(2)9-15-12-14-4-3-11(16-12)17-7-5-13-6-8-17/h3-4,10,13H,5-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 58227230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).