N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine

C13H23N3O — CID 66332240

IUPACN-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1cc(OC(C)C)ncn1)C(C)NC
InChIInChI=1S/C13H23N3O/c1-6-11(10(4)14-5)12-7-13(16-8-15-12)17-9(2)3/h7-11,14H,6H2,1-5H3
InChIKeyPCJLLIKZFXLWHO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine

N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine (PubChem CID 66332240) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
PubChem CID66332240
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1cc(OC(C)C)ncn1)C(C)NC
InChIInChI=1S/C13H23N3O/c1-6-11(10(4)14-5)12-7-13(16-8-15-12)17-9(2)3/h7-11,14H,6H2,1-5H3
InChIKeyPCJLLIKZFXLWHO-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine
CID 63200378
3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine
CID 63200379
2-(6-propan-2-yloxypyrimidin-4-yl)butanoic acid
CID 104572083
3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine
CID 66318350
N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
CID 66331828
1-(6-methoxypyrimidin-4-yl)-N,2-dimethylpentan-1-amine
CID 107896968
2-ethyl-1-(6-methoxypyrimidin-4-yl)-N-methylbutan-1-amine
CID 102951200
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 102953025
N-ethyl-1-(6-methoxypyrimidin-4-yl)-2-methylbutan-1-amine
CID 102951564
3-(6-ethoxy-5-methylpyrimidin-4-yl)-N-methylpentan-2-amine
CID 66325356
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N-propan-2-yl-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
CID 66332028

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
The IUPAC name of N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine (CID 66332240) is N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine is CCC(c1cc(OC(C)C)ncn1)C(C)NC.
What is the InChIKey of N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
The InChIKey is PCJLLIKZFXLWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-11(10(4)14-5)12-7-13(16-8-15-12)17-9(2)3/h7-11,14H,6H2,1-5H3.
What are the key properties of N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine?
N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 66332240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).