N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine

C13H23N3O — CID 112636998

IUPACN-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)CCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)6-5-8-14-13-15-9-7-12(16-13)17-11(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyMYDSNWSXQNCUAG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.11
Rot. Bonds7

About N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine

N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636998) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112636998
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)CCCNc1nccc(OC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)6-5-8-14-13-15-9-7-12(16-13)17-11(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyMYDSNWSXQNCUAG-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114537660
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine (CID 112636998) is N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine is CC(C)CCCNc1nccc(OC(C)C)n1.
What is the InChIKey of N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is MYDSNWSXQNCUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)6-5-8-14-13-15-9-7-12(16-13)17-11(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine?
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).