N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine

C13H23N3O — CID 103285313

IUPACN,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine
SMILESCCCC(C)COCc1nc(C)cc(NC)n1
InChIInChI=1S/C13H23N3O/c1-5-6-10(2)8-17-9-13-15-11(3)7-12(14-4)16-13/h7,10H,5-6,8-9H2,1-4H3,(H,14,15,16)
InChIKeyNWCHWUGOZJAGDF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.78
Rot. Bonds7

About N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine

N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine (PubChem CID 103285313) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine
PubChem CID103285313
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine
SMILESCCCC(C)COCc1nc(C)cc(NC)n1
InChIInChI=1S/C13H23N3O/c1-5-6-10(2)8-17-9-13-15-11(3)7-12(14-4)16-13/h7,10H,5-6,8-9H2,1-4H3,(H,14,15,16)
InChIKeyNWCHWUGOZJAGDF-UHFFFAOYSA-N
XLogP2.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
CID 80654217
N-methyl-5-(2-methylpentoxymethyl)pyridin-2-amine
CID 103285298
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 106205209
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103490268
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311
2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657236
2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80654838
2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80653990

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine (CID 103285313) is N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine is CCCC(C)COCc1nc(C)cc(NC)n1.
What is the InChIKey of N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine?
The InChIKey is NWCHWUGOZJAGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-10(2)8-17-9-13-15-11(3)7-12(14-4)16-13/h7,10H,5-6,8-9H2,1-4H3,(H,14,15,16).
What are the key properties of N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine?
N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103285313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).