6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine

C18H26N6 — CID 91765245

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1
InChIInChI=1S/C18H26N6/c1-3-24-7-6-20-17(24)11-23(2)16-10-15(13-8-14(19)9-13)21-18(22-16)12-4-5-12/h6-7,10,12-14H,3-5,8-9,11,19H2,1-2H3
InChIKeySPWLFRBXNGAADY-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.41
Rot. Bonds6

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 91765245) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID91765245
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1
InChIInChI=1S/C18H26N6/c1-3-24-7-6-20-17(24)11-23(2)16-10-15(13-8-14(19)9-13)21-18(22-16)12-4-5-12/h6-7,10,12-14H,3-5,8-9,11,19H2,1-2H3
InChIKeySPWLFRBXNGAADY-UHFFFAOYSA-N
XLogP2.41
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine (CID 91765245) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine is CCn1ccnc1CN(C)c1cc(C2CC(N)C2)nc(C2CC2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is SPWLFRBXNGAADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-24-7-6-20-17(24)11-23(2)16-10-15(13-8-14(19)9-13)21-18(22-16)12-4-5-12/h6-7,10,12-14H,3-5,8-9,11,19H2,1-2H3.
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91765245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).