1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine

C13H17N3O — CID 104807260

IUPAC1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(-c2occc2C)n1
InChIInChI=1S/C13H17N3O/c1-8-4-5-17-12(8)13-15-10(3)7-11(16-13)6-9(2)14/h4-5,7,9H,6,14H2,1-3H3
InChIKeyNOUHJBVAVZTSAN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds3

About 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine

1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine (PubChem CID 104807260) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine
PubChem CID104807260
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc(-c2occc2C)n1
InChIInChI=1S/C13H17N3O/c1-8-4-5-17-12(8)13-15-10(3)7-11(16-13)6-9(2)14/h4-5,7,9H,6,14H2,1-3H3
InChIKeyNOUHJBVAVZTSAN-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 62744529
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
CID 104807222
5-bromo-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806896
1-[6-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]propan-2-amine
CID 65197588
N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 113455494
5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113455467
1-[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]propan-2-amine
CID 79088372
(1S,2S)-2-methyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900335
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
CID 104806262
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)butan-2-amine
CID 62746111

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine (CID 104807260) is 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine is Cc1cc(CC(C)N)nc(-c2occc2C)n1.
What is the InChIKey of 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is NOUHJBVAVZTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-4-5-17-12(8)13-15-10(3)7-11(16-13)6-9(2)14/h4-5,7,9H,6,14H2,1-3H3.
What are the key properties of 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine?
1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 104807260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).