N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

C10H17N5 — CID 91035084

IUPACN-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(Nc2ncccn2)CC1
InChIInChI=1S/C10H17N5/c1-2-14-6-8-15(9-7-14)13-10-11-4-3-5-12-10/h3-5H,2,6-9H2,1H3,(H,11,12,13)
InChIKeyXMCSHWOFMRUJKE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.44
Rot. Bonds3

About N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 91035084) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID91035084
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(Nc2ncccn2)CC1
InChIInChI=1S/C10H17N5/c1-2-14-6-8-15(9-7-14)13-10-11-4-3-5-12-10/h3-5H,2,6-9H2,1H3,(H,11,12,13)
InChIKeyXMCSHWOFMRUJKE-UHFFFAOYSA-N
XLogP0.44
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (CID 91035084) is N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is CCN1CCN(Nc2ncccn2)CC1.
What is the InChIKey of N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is XMCSHWOFMRUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-14-6-8-15(9-7-14)13-10-11-4-3-5-12-10/h3-5H,2,6-9H2,1H3,(H,11,12,13).
What are the key properties of N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 91035084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).