4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine

C13H21N3O — CID 113466642

IUPAC4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
SMILESC=CCC(C)Nc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C13H21N3O/c1-6-7-10(4)14-13-15-11(5)8-12(16-13)17-9(2)3/h6,8-10H,1,7H2,2-5H3,(H,14,15,16)
InChIKeyVKPKERKJKIZVOI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.95
Rot. Bonds6

About 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine

4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 113466642) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID113466642
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
SMILESC=CCC(C)Nc1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C13H21N3O/c1-6-7-10(4)14-13-15-11(5)8-12(16-13)17-9(2)3/h6,8-10H,1,7H2,2-5H3,(H,14,15,16)
InChIKeyVKPKERKJKIZVOI-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 115975028
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 113495849
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 112637072
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635636

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine (CID 113466642) is 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine is C=CCC(C)Nc1nc(C)cc(OC(C)C)n1.
What is the InChIKey of 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is VKPKERKJKIZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-6-7-10(4)14-13-15-11(5)8-12(16-13)17-9(2)3/h6,8-10H,1,7H2,2-5H3,(H,14,15,16).
What are the key properties of 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 113466642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).