6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine

C16H31N5O — CID 82458298

IUPAC6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCCCOc1nc(CC(C)C)nc(NCCN(C)C)c1N
InChIInChI=1S/C16H31N5O/c1-6-7-10-22-16-14(17)15(18-8-9-21(4)5)19-13(20-16)11-12(2)3/h12H,6-11,17H2,1-5H3,(H,18,19,20)
InChIKeyLRFOXJPYLABPII-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.41
Rot. Bonds10

About 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458298) has the molecular formula C16H31N5O and a molecular weight of 309.46 g/mol. Its IUPAC name is 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458298
Molecular FormulaC16H31N5O
Molecular Weight309.46 g/mol
Exact Mass309.25
IUPAC Name6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCCCOc1nc(CC(C)C)nc(NCCN(C)C)c1N
InChIInChI=1S/C16H31N5O/c1-6-7-10-22-16-14(17)15(18-8-9-21(4)5)19-13(20-16)11-12(2)3/h12H,6-11,17H2,1-5H3,(H,18,19,20)
InChIKeyLRFOXJPYLABPII-UHFFFAOYSA-N
XLogP2.41
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455942
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458298) is 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine is CCCCOc1nc(CC(C)C)nc(NCCN(C)C)c1N.
What is the InChIKey of 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is LRFOXJPYLABPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O/c1-6-7-10-22-16-14(17)15(18-8-9-21(4)5)19-13(20-16)11-12(2)3/h12H,6-11,17H2,1-5H3,(H,18,19,20).
What are the key properties of 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 309.46 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).