6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine

C14H26N4O — CID 82455487

IUPAC6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(C)nc(OCCCC)c1N
InChIInChI=1S/C14H26N4O/c1-4-6-8-9-16-13-12(15)14(18-11(3)17-13)19-10-7-5-2/h4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyQFWWHDPIUNMFNM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.15
Rot. Bonds9

About 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine

6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine (PubChem CID 82455487) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
PubChem CID82455487
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
SMILESCCCCCNc1nc(C)nc(OCCCC)c1N
InChIInChI=1S/C14H26N4O/c1-4-6-8-9-16-13-12(15)14(18-11(3)17-13)19-10-7-5-2/h4-10,15H2,1-3H3,(H,16,17,18)
InChIKeyQFWWHDPIUNMFNM-UHFFFAOYSA-N
XLogP3.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-butoxy-4-N-cycloheptyl-2-methylpyrimidine-4,5-diamine
CID 82455497
4-N-(3-ethoxypropyl)-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455515
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455942
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine (CID 82455487) is 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine is CCCCCNc1nc(C)nc(OCCCC)c1N.
What is the InChIKey of 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine?
The InChIKey is QFWWHDPIUNMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-8-9-16-13-12(15)14(18-11(3)17-13)19-10-7-5-2/h4-10,15H2,1-3H3,(H,16,17,18).
What are the key properties of 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine?
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).