6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine

C13H24N4O3 — CID 82455281

IUPAC6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCCCOC(C)C)c1N
InChIInChI=1S/C13H24N4O3/c1-10(2)19-6-4-5-15-12-11(14)13(17-9-16-12)20-8-7-18-3/h9-10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyABNWNWNGWUCOHW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds10

About 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine

6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine (PubChem CID 82455281) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
PubChem CID82455281
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCCCOC(C)C)c1N
InChIInChI=1S/C13H24N4O3/c1-10(2)19-6-4-5-15-12-11(14)13(17-9-16-12)20-8-7-18-3/h9-10H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyABNWNWNGWUCOHW-UHFFFAOYSA-N
XLogP1.31
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455290
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 82455287
6-propan-2-yloxy-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 82942129
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144247
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072
6-hydrazinyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19150351
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine (CID 82455281) is 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine is COCCOc1ncnc(NCCCOC(C)C)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine?
The InChIKey is ABNWNWNGWUCOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(2)19-6-4-5-15-12-11(14)13(17-9-16-12)20-8-7-18-3/h9-10H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine has a molecular weight of 284.36 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).