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

C16H30N4O2 — CID 82458644

IUPAC4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCCCCCNc1nc(COC)nc(OCC(C)C)c1N
InChIInChI=1S/C16H30N4O2/c1-5-6-7-8-9-18-15-14(17)16(22-10-12(2)3)20-13(19-15)11-21-4/h12H,5-11,17H2,1-4H3,(H,18,19,20)
InChIKeyPBEOCRLTZGGYMY-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.23
Rot. Bonds11

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

4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82458644) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82458644
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCCCCCCNc1nc(COC)nc(OCC(C)C)c1N
InChIInChI=1S/C16H30N4O2/c1-5-6-7-8-9-18-15-14(17)16(22-10-12(2)3)20-13(19-15)11-21-4/h12H,5-11,17H2,1-4H3,(H,18,19,20)
InChIKeyPBEOCRLTZGGYMY-UHFFFAOYSA-N
XLogP3.23
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.23
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

6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
4-N-(furan-2-ylmethyl)-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458649
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455832

Frequently Asked Questions

What is the IUPAC name of 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82458644) is 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CCCCCCNc1nc(COC)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is PBEOCRLTZGGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-5-6-7-8-9-18-15-14(17)16(22-10-12(2)3)20-13(19-15)11-21-4/h12H,5-11,17H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 310.44 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).