6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine

C13H17N5 — CID 72895553

IUPAC6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine
SMILESCN(CCn1ccnc1)c1cc(C2CC2)ncn1
InChIInChI=1S/C13H17N5/c1-17(6-7-18-5-4-14-10-18)13-8-12(11-2-3-11)15-9-16-13/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyRLPZHXDPKCXYLK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.69
Rot. Bonds5

About 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine

6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine (PubChem CID 72895553) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine
PubChem CID72895553
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine
SMILESCN(CCn1ccnc1)c1cc(C2CC2)ncn1
InChIInChI=1S/C13H17N5/c1-17(6-7-18-5-4-14-10-18)13-8-12(11-2-3-11)15-9-16-13/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyRLPZHXDPKCXYLK-UHFFFAOYSA-N
XLogP1.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine (CID 72895553) is 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine is CN(CCn1ccnc1)c1cc(C2CC2)ncn1.
What is the InChIKey of 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine?
The InChIKey is RLPZHXDPKCXYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17(6-7-18-5-4-14-10-18)13-8-12(11-2-3-11)15-9-16-13/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine?
6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-imidazol-1-ylethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72895553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).