3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine

C14H25N3O — CID 113491586

IUPAC3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-6-14(15,7-2)9-18-13-16-11(5)8-12(17-13)10(3)4/h8,10H,6-7,9,15H2,1-5H3
InChIKeySJFQBQHZGDPCQQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.80
Rot. Bonds6

About 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine

3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine (PubChem CID 113491586) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
PubChem CID113491586
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C14H25N3O/c1-6-14(15,7-2)9-18-13-16-11(5)8-12(17-13)10(3)4/h8,10H,6-7,9,15H2,1-5H3
InChIKeySJFQBQHZGDPCQQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-propan-2-yl-2-propoxypyrimidine
CID 176993586
3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 64573844
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
CID 114335295
4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 122534089
3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333935
3-bromo-5-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyaniline
CID 103589085
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463
2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 107284442
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate
CID 116895269
2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 113491450
1-N-(2,6-dimethylpyrimidin-4-yl)-2-ethylbutane-1,2-diamine
CID 115306257

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine (CID 113491586) is 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine is CCC(N)(CC)COc1nc(C)cc(C(C)C)n1.
What is the InChIKey of 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine?
The InChIKey is SJFQBQHZGDPCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-14(15,7-2)9-18-13-16-11(5)8-12(17-13)10(3)4/h8,10H,6-7,9,15H2,1-5H3.
What are the key properties of 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine?
3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 113491586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).