4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine

C17H17N5 — CID 44586929

IUPAC4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine
SMILESCn1cnc(-c2ccccc2)c1C1CC1c1ccnc(N)n1
InChIInChI=1S/C17H17N5/c1-22-10-20-15(11-5-3-2-4-6-11)16(22)13-9-12(13)14-7-8-19-17(18)21-14/h2-8,10,12-13H,9H2,1H3,(H2,18,19,21)
InChIKeyLUWKTNHNUUQNQZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.73
Rot. Bonds3

About 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine

4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine (PubChem CID 44586929) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine
PubChem CID44586929
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine
SMILESCn1cnc(-c2ccccc2)c1C1CC1c1ccnc(N)n1
InChIInChI=1S/C17H17N5/c1-22-10-20-15(11-5-3-2-4-6-11)16(22)13-9-12(13)14-7-8-19-17(18)21-14/h2-8,10,12-13H,9H2,1H3,(H2,18,19,21)
InChIKeyLUWKTNHNUUQNQZ-UHFFFAOYSA-N
XLogP2.73
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine (CID 44586929) is 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine is Cn1cnc(-c2ccccc2)c1C1CC1c1ccnc(N)n1.
What is the InChIKey of 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine?
The InChIKey is LUWKTNHNUUQNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-22-10-20-15(11-5-3-2-4-6-11)16(22)13-9-12(13)14-7-8-19-17(18)21-14/h2-8,10,12-13H,9H2,1H3,(H2,18,19,21).
What are the key properties of 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine?
4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine has a molecular weight of 291.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-5-phenylimidazol-4-yl)cyclopropyl]pyrimidin-2-amine is sourced from PubChem (CID 44586929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).