1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine

C10H17N3O — CID 63197373

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N3O/c1-7-4-8(2)13-10(12-7)5-9(11)6-14-3/h4,9H,5-6,11H2,1-3H3
InChIKeyISSQQNPJINQHSL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.61
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine

1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine (PubChem CID 63197373) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine
PubChem CID63197373
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C)cc(C)n1
InChIInChI=1S/C10H17N3O/c1-7-4-8(2)13-10(12-7)5-9(11)6-14-3/h4,9H,5-6,11H2,1-3H3
InChIKeyISSQQNPJINQHSL-UHFFFAOYSA-N
XLogP0.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine (CID 63197373) is 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine is COCC(N)Cc1nc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine?
The InChIKey is ISSQQNPJINQHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-4-8(2)13-10(12-7)5-9(11)6-14-3/h4,9H,5-6,11H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine?
1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 63197373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).