6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine

C13H24N4O2 — CID 82458232

IUPAC6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOCCCNc1nc(CC(C)C)nc(OC)c1N
InChIInChI=1S/C13H24N4O2/c1-9(2)8-10-16-12(15-6-5-7-18-3)11(14)13(17-10)19-4/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyBHKCMCWNIFOYFP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.71
Rot. Bonds8

About 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458232) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458232
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOCCCNc1nc(CC(C)C)nc(OC)c1N
InChIInChI=1S/C13H24N4O2/c1-9(2)8-10-16-12(15-6-5-7-18-3)11(14)13(17-10)19-4/h9H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyBHKCMCWNIFOYFP-UHFFFAOYSA-N
XLogP1.71
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.71
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-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
2-tert-butyl-4-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458804
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
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458232) is 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine is COCCCNc1nc(CC(C)C)nc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is BHKCMCWNIFOYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)8-10-16-12(15-6-5-7-18-3)11(14)13(17-10)19-4/h9H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).