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

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Related Compounds

8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one
CID 166111500
8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one
CID 174202660
8-(1-aminoethyl)-3,6-dimethyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]chromen-4-one
CID 170339305
8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one
CID 174203302
3-[6-[[(1R)-1-(3,6-dimethyl-4-oxo-2-pyrimidin-5-ylchromen-8-yl)ethyl]amino]-2,3-difluorophenyl]-4H-1,2,4-oxadiazol-5-one
CID 169269846
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 166111304
(Z)-3-amino-N-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]but-2-enethioamide
CID 169268993
1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethylcarbamic acid
CID 174204740
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-pyrazolo[1,5-a]pyridin-6-ylchromen-4-one
CID 166146679
8-[(1R)-1-aminoethyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3,6-dimethylchromen-4-one
CID 176864813
8-[(1R)-1-(1H-indol-4-ylamino)ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270085
8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270702

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).