6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine

C14H19N5 — CID 72916098

IUPAC6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CC2)ncn1
InChIInChI=1S/C14H19N5/c1-3-19-7-6-15-14(19)9-18(2)13-8-12(11-4-5-11)16-10-17-13/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyZRRFGOZFDYRBMA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds5

About 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine

6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 72916098) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID72916098
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CC2)ncn1
InChIInChI=1S/C14H19N5/c1-3-19-7-6-15-14(19)9-18(2)13-8-12(11-4-5-11)16-10-17-13/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyZRRFGOZFDYRBMA-UHFFFAOYSA-N
XLogP2.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine (CID 72916098) is 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine is CCn1ccnc1CN(C)c1cc(C2CC2)ncn1.
What is the InChIKey of 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is ZRRFGOZFDYRBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-19-7-6-15-14(19)9-18(2)13-8-12(11-4-5-11)16-10-17-13/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72916098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).