6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine

C16H30N4O — CID 82455942

IUPAC6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(C(C)C)nc(NCCC(C)C)c1N
InChIInChI=1S/C16H30N4O/c1-6-7-10-21-16-13(17)15(18-9-8-11(2)3)19-14(20-16)12(4)5/h11-12H,6-10,17H2,1-5H3,(H,18,19,20)
InChIKeySGOSWOPGXQIJLS-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.82
Rot. Bonds9

About 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine

6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82455942) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82455942
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(C(C)C)nc(NCCC(C)C)c1N
InChIInChI=1S/C16H30N4O/c1-6-7-10-21-16-13(17)15(18-9-8-11(2)3)19-14(20-16)12(4)5/h11-12H,6-10,17H2,1-5H3,(H,18,19,20)
InChIKeySGOSWOPGXQIJLS-UHFFFAOYSA-N
XLogP3.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine 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

6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455832
5-methyl-6-(4-methylpentoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989042
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
CID 82455919
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
4-N-(4-butoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19143072
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine (CID 82455942) is 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine is CCCCOc1nc(C(C)C)nc(NCCC(C)C)c1N.
What is the InChIKey of 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is SGOSWOPGXQIJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-7-10-21-16-13(17)15(18-9-8-11(2)3)19-14(20-16)12(4)5/h11-12H,6-10,17H2,1-5H3,(H,18,19,20).
What are the key properties of 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine?
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).