6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine

C16H30N4O2 — CID 82458664

IUPAC6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCCCCCCNc1nc(COC)nc(OCCCC)c1N
InChIInChI=1S/C16H30N4O2/c1-4-6-8-9-10-18-15-14(17)16(22-11-7-5-2)20-13(19-15)12-21-3/h4-12,17H2,1-3H3,(H,18,19,20)
InChIKeyBFNHANXNHMZCAO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.38
Rot. Bonds12

About 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine

6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine (PubChem CID 82458664) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
PubChem CID82458664
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCCCCCCNc1nc(COC)nc(OCCCC)c1N
InChIInChI=1S/C16H30N4O2/c1-4-6-8-9-10-18-15-14(17)16(22-11-7-5-2)20-13(19-15)12-21-3/h4-12,17H2,1-3H3,(H,18,19,20)
InChIKeyBFNHANXNHMZCAO-UHFFFAOYSA-N
XLogP3.38
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.38
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-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-butoxy-2-methyl-4-N-pentylpyrimidine-4,5-diamine
CID 82455487
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
4-N-butyl-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455553
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458581
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine (CID 82458664) is 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine is CCCCCCNc1nc(COC)nc(OCCCC)c1N.
What is the InChIKey of 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine?
The InChIKey is BFNHANXNHMZCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-4-6-8-9-10-18-15-14(17)16(22-11-7-5-2)20-13(19-15)12-21-3/h4-12,17H2,1-3H3,(H,18,19,20).
What are the key properties of 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine?
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine has a molecular weight of 310.44 g/mol, XLogP of 3.38, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).