N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine

C17H17N3O — CID 104846802

IUPACN,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
SMILESCNc1nc(-c2occc2C)nc(-c2ccccc2)c1C
InChIInChI=1S/C17H17N3O/c1-11-9-10-21-15(11)17-19-14(12(2)16(18-3)20-17)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19,20)
InChIKeyIVGOSPQQDAZTMD-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.06
Rot. Bonds3

About N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine

N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine (PubChem CID 104846802) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
PubChem CID104846802
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
SMILESCNc1nc(-c2occc2C)nc(-c2ccccc2)c1C
InChIInChI=1S/C17H17N3O/c1-11-9-10-21-15(11)17-19-14(12(2)16(18-3)20-17)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19,20)
InChIKeyIVGOSPQQDAZTMD-UHFFFAOYSA-N
XLogP4.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 104846793
5-bromo-2-(furan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 66294315
5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806787
2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 104846807
2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 104846775
N-methyl-2-(3-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 104806548
2-(furan-3-yl)-5-iodo-N-methyl-6-phenylpyrimidin-4-amine
CID 66306045
(5-methyl-6-phenyl-2-pyridin-3-ylpyrimidin-4-yl)hydrazine
CID 104847099
N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806560
2-(1-methoxybutyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 116730198
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806725
5-bromo-2-(3-bromofuran-2-yl)-6-phenylpyrimidin-4-amine
CID 106889232

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine (CID 104846802) is N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine is CNc1nc(-c2occc2C)nc(-c2ccccc2)c1C.
What is the InChIKey of N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is IVGOSPQQDAZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-9-10-21-15(11)17-19-14(12(2)16(18-3)20-17)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine?
N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-(3-methylfuran-2-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).