2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C11H16N6O — CID 166628379

IUPAC2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCOCCNc1nccc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C11H16N6O/c1-8-7-10(17-16-8)14-9-3-4-12-11(15-9)13-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyAQDZZFQEXOLUIY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.31
Rot. Bonds6

About 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 166628379) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID166628379
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCOCCNc1nccc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C11H16N6O/c1-8-7-10(17-16-8)14-9-3-4-12-11(15-9)13-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyAQDZZFQEXOLUIY-UHFFFAOYSA-N
XLogP1.31
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 166628379) is 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is COCCNc1nccc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is AQDZZFQEXOLUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8-7-10(17-16-8)14-9-3-4-12-11(15-9)13-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166628379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).