6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine

C16H30N4O2 — CID 82458334

IUPAC6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOCCOc1nc(CC(C)C)nc(NCCC(C)C)c1N
InChIInChI=1S/C16H30N4O2/c1-11(2)6-7-18-15-14(17)16(22-9-8-21-5)20-13(19-15)10-12(3)4/h11-12H,6-10,17H2,1-5H3,(H,18,19,20)
InChIKeyLZNNNZKCZWWFDS-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.74
Rot. Bonds10

About 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458334) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458334
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOCCOc1nc(CC(C)C)nc(NCCC(C)C)c1N
InChIInChI=1S/C16H30N4O2/c1-11(2)6-7-18-15-14(17)16(22-9-8-21-5)20-13(19-15)10-12(3)4/h11-12H,6-10,17H2,1-5H3,(H,18,19,20)
InChIKeyLZNNNZKCZWWFDS-UHFFFAOYSA-N
XLogP2.74
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.74
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

2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
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-[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
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455780

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458334) is 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine is COCCOc1nc(CC(C)C)nc(NCCC(C)C)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is LZNNNZKCZWWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-11(2)6-7-18-15-14(17)16(22-9-8-21-5)20-13(19-15)10-12(3)4/h11-12H,6-10,17H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 310.44 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).