4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine

C14H15N3O — CID 114747360

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C14H15N3O/c1-15-14-16-8-7-12(17-14)11-6-2-4-10-5-3-9-18-13(10)11/h2,4,6-8H,3,5,9H2,1H3,(H,15,16,17)
InChIKeySZJVMZWGRPSORV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.51
Rot. Bonds2

About 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine

4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine (PubChem CID 114747360) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
PubChem CID114747360
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C14H15N3O/c1-15-14-16-8-7-12(17-14)11-6-2-4-10-5-3-9-18-13(10)11/h2,4,6-8H,3,5,9H2,1H3,(H,15,16,17)
InChIKeySZJVMZWGRPSORV-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine (CID 114747360) is 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2cccc3c2OCCC3)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine?
The InChIKey is SZJVMZWGRPSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-14-16-8-7-12(17-14)11-6-2-4-10-5-3-9-18-13(10)11/h2,4,6-8H,3,5,9H2,1H3,(H,15,16,17).
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine?
4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 114747360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).