4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid

C15H15N3O3 — CID 116647303

IUPAC4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCOc3ccccc32)nc(N)c1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-8-12(15(19)20)13(16)18-14(17-8)10-6-7-21-11-5-3-2-4-9(10)11/h2-5,10H,6-7H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyOYWOZOLVVPEEEA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.98
Rot. Bonds2

About 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid

4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 116647303) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID116647303
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CCOc3ccccc32)nc(N)c1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-8-12(15(19)20)13(16)18-14(17-8)10-6-7-21-11-5-3-2-4-9(10)11/h2-5,10H,6-7H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyOYWOZOLVVPEEEA-UHFFFAOYSA-N
XLogP1.98
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
4-amino-2-cyclobutyl-6-methylpyrimidine-5-carboxylic acid
CID 116647337
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431983
2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192961
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407342
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66300749
4-amino-2-cycloheptyl-6-methylpyrimidine-5-carboxylic acid
CID 116647411
5-(1-chloroethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidine
CID 65406034
2-(3,4-dihydro-2H-chromen-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476665
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid (CID 116647303) is 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid is Cc1nc(C2CCOc3ccccc32)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is OYWOZOLVVPEEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-12(15(19)20)13(16)18-14(17-8)10-6-7-21-11-5-3-2-4-9(10)11/h2-5,10H,6-7H2,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid?
4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116647303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).