1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

C12H21N3O — CID 79197493

IUPAC1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(C(C)(C)OC)nc1C
InChIInChI=1S/C12H21N3O/c1-8-10(7-13-5)9(2)15-11(14-8)12(3,4)16-6/h13H,7H2,1-6H3
InChIKeyUSWHJVMXUAHQKQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds4

About 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 79197493) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID79197493
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc(C(C)(C)OC)nc1C
InChIInChI=1S/C12H21N3O/c1-8-10(7-13-5)9(2)15-11(14-8)12(3,4)16-6/h13H,7H2,1-6H3
InChIKeyUSWHJVMXUAHQKQ-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (CID 79197493) is 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is CNCc1c(C)nc(C(C)(C)OC)nc1C.
What is the InChIKey of 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is USWHJVMXUAHQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-10(7-13-5)9(2)15-11(14-8)12(3,4)16-6/h13H,7H2,1-6H3.
What are the key properties of 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 79197493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).