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

C12H19N5 — CID 58227402

IUPACN-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESc1cc(N2CCNCC2)nc(NCC2CC2)n1
InChIInChI=1S/C12H19N5/c1-2-10(1)9-15-12-14-4-3-11(16-12)17-7-5-13-6-8-17/h3-4,10,13H,1-2,5-9H2,(H,14,15,16)
InChIKeyWXWLLLPFQQBISE-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.71
Rot. Bonds4

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

N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 58227402) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID58227402
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESc1cc(N2CCNCC2)nc(NCC2CC2)n1
InChIInChI=1S/C12H19N5/c1-2-10(1)9-15-12-14-4-3-11(16-12)17-7-5-13-6-8-17/h3-4,10,13H,1-2,5-9H2,(H,14,15,16)
InChIKeyWXWLLLPFQQBISE-UHFFFAOYSA-N
XLogP0.71
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine (CID 58227402) is N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine is c1cc(N2CCNCC2)nc(NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is WXWLLLPFQQBISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-10(1)9-15-12-14-4-3-11(16-12)17-7-5-13-6-8-17/h3-4,10,13H,1-2,5-9H2,(H,14,15,16).
What are the key properties of N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine?
N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 58227402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).