2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine

C12H21N3O — CID 116775773

IUPAC2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCC(CC)(OC)c1nc(C)cc(NC)n1
InChIInChI=1S/C12H21N3O/c1-6-12(7-2,16-5)11-14-9(3)8-10(13-4)15-11/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyKJQQPQINVJBIII-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.49
Rot. Bonds5

About 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine

2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 116775773) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID116775773
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCCC(CC)(OC)c1nc(C)cc(NC)n1
InChIInChI=1S/C12H21N3O/c1-6-12(7-2,16-5)11-14-9(3)8-10(13-4)15-11/h8H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyKJQQPQINVJBIII-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777566
[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-(2-ethoxybutan-2-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116775799
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116775818
6-(methoxymethyl)-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79198529
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607
2-(3-methoxypentan-3-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 116776134
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65401576

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine (CID 116775773) is 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine is CCC(CC)(OC)c1nc(C)cc(NC)n1.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is KJQQPQINVJBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(7-2,16-5)11-14-9(3)8-10(13-4)15-11/h8H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine?
2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116775773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).