2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine

C15H15N3O — CID 104544998

IUPAC2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
SMILESNc1cc(-c2ccc3c(c2)CCO3)nc(C2CC2)n1
InChIInChI=1S/C15H15N3O/c16-14-8-12(17-15(18-14)9-1-2-9)10-3-4-13-11(7-10)5-6-19-13/h3-4,7-9H,1-2,5-6H2,(H2,16,17,18)
InChIKeyLDEZBDFMJOGZMJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.54
Rot. Bonds2

About 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine

2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine (PubChem CID 104544998) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
PubChem CID104544998
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
SMILESNc1cc(-c2ccc3c(c2)CCO3)nc(C2CC2)n1
InChIInChI=1S/C15H15N3O/c16-14-8-12(17-15(18-14)9-1-2-9)10-3-4-13-11(7-10)5-6-19-13/h3-4,7-9H,1-2,5-6H2,(H2,16,17,18)
InChIKeyLDEZBDFMJOGZMJ-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 107290535
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-cyclopropyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80952990
2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
CID 102716482
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
CID 62198669
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylpyrimidin-4-amine
CID 80946171
4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521391
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine (CID 104544998) is 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine is Nc1cc(-c2ccc3c(c2)CCO3)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine?
The InChIKey is LDEZBDFMJOGZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-14-8-12(17-15(18-14)9-1-2-9)10-3-4-13-11(7-10)5-6-19-13/h3-4,7-9H,1-2,5-6H2,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine?
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine has a molecular weight of 253.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 104544998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).