N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine

C12H15N3O — CID 116892451

IUPACN-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
SMILESCNCc1nc(C)cc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H15N3O/c1-8-6-10(11-5-4-9(2)16-11)15-12(14-8)7-13-3/h4-6,13H,7H2,1-3H3
InChIKeyRATKSWQDKUKABZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.07
Rot. Bonds3

About N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine

N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine (PubChem CID 116892451) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
PubChem CID116892451
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine
SMILESCNCc1nc(C)cc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H15N3O/c1-8-6-10(11-5-4-9(2)16-11)15-12(14-8)7-13-3/h4-6,13H,7H2,1-3H3
InChIKeyRATKSWQDKUKABZ-UHFFFAOYSA-N
XLogP2.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116893719
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
2-methyl-3-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoic acid
CID 116894252
2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116897330
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
N-methyl-1-(4-methyl-6-naphthalen-2-ylpyrimidin-2-yl)methanamine
CID 116892458
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
1-[4-(2,5-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylmethanamine
CID 116892415
1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutane-1-carbonitrile
CID 116896131
[4-(5-methylfuran-2-yl)pyrimidin-2-yl]methanol
CID 116899503
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892641

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine (CID 116892451) is N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine is CNCc1nc(C)cc(-c2ccc(C)o2)n1.
What is the InChIKey of N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine?
The InChIKey is RATKSWQDKUKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-6-10(11-5-4-9(2)16-11)15-12(14-8)7-13-3/h4-6,13H,7H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine?
N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 116892451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).