8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one

C17H17N3O2 — CID 169268963

IUPAC8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one
SMILESCc1cc([C@@H](C)N)c2oc(-c3cncnc3)c(C)c(=O)c2c1
InChIInChI=1S/C17H17N3O2/c1-9-4-13(11(3)18)17-14(5-9)15(21)10(2)16(22-17)12-6-19-8-20-7-12/h4-8,11H,18H2,1-3H3/t11-/m1/s1
InChIKeyLFHIISSEQOXNBA-LLVKDONJSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds2

About 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one

8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one (PubChem CID 169268963) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one.

Molecular Properties

Compound Name8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one
PubChem CID169268963
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one
SMILESCc1cc([C@@H](C)N)c2oc(-c3cncnc3)c(C)c(=O)c2c1
InChIInChI=1S/C17H17N3O2/c1-9-4-13(11(3)18)17-14(5-9)15(21)10(2)16(22-17)12-6-19-8-20-7-12/h4-8,11H,18H2,1-3H3/t11-/m1/s1
InChIKeyLFHIISSEQOXNBA-LLVKDONJSA-N
XLogP2.89
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one?
The IUPAC name of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one (CID 169268963) is 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one.
What is the SMILES notation for 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one?
The canonical SMILES for 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one is Cc1cc([C@@H](C)N)c2oc(-c3cncnc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one?
The InChIKey is LFHIISSEQOXNBA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-9-4-13(11(3)18)17-14(5-9)15(21)10(2)16(22-17)12-6-19-8-20-7-12/h4-8,11H,18H2,1-3H3/t11-/m1/s1.
What are the key properties of 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one?
8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one is sourced from PubChem (CID 169268963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).