2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine

C12H15N5 — CID 80952857

IUPAC2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine
SMILESCCn1ccnc1-c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H15N5/c1-2-17-6-5-14-12(17)9-7-10(13)16-11(15-9)8-3-4-8/h5-8H,2-4H2,1H3,(H2,13,15,16)
InChIKeyXBYHJBHRMDPCOC-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.82
Rot. Bonds3

About 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine

2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine (PubChem CID 80952857) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine
PubChem CID80952857
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine
SMILESCCn1ccnc1-c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H15N5/c1-2-17-6-5-14-12(17)9-7-10(13)16-11(15-9)8-3-4-8/h5-8H,2-4H2,1H3,(H2,13,15,16)
InChIKeyXBYHJBHRMDPCOC-UHFFFAOYSA-N
XLogP1.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine (CID 80952857) is 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine is CCn1ccnc1-c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine?
The InChIKey is XBYHJBHRMDPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-17-6-5-14-12(17)9-7-10(13)16-11(15-9)8-3-4-8/h5-8H,2-4H2,1H3,(H2,13,15,16).
What are the key properties of 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine has a molecular weight of 229.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(1-ethylimidazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80952857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).