6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine

C11H16N6O — CID 114251440

IUPAC6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2ccn(CC)n2)c1N
InChIInChI=1S/C11H16N6O/c1-3-17-6-5-8(16-17)15-10-9(12)11(18-4-2)14-7-13-10/h5-7H,3-4,12H2,1-2H3,(H,13,14,15,16)
InChIKeyPUHILTAJOHZJNK-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.42
Rot. Bonds5

About 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine

6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine (PubChem CID 114251440) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine
PubChem CID114251440
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2ccn(CC)n2)c1N
InChIInChI=1S/C11H16N6O/c1-3-17-6-5-8(16-17)15-10-9(12)11(18-4-2)14-7-13-10/h5-7H,3-4,12H2,1-2H3,(H,13,14,15,16)
InChIKeyPUHILTAJOHZJNK-UHFFFAOYSA-N
XLogP1.42
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-N-(1-ethylpyrazol-3-yl)pyridine-2,5-diamine
CID 114251452
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 114250765
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
ethyl 4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]benzoate
CID 19146384
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 81292242
4-N-(3-chloro-5-fluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 107363613
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152445

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine (CID 114251440) is 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine is CCOc1ncnc(Nc2ccn(CC)n2)c1N.
What is the InChIKey of 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine?
The InChIKey is PUHILTAJOHZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-17-6-5-8(16-17)15-10-9(12)11(18-4-2)14-7-13-10/h5-7H,3-4,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine?
6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(1-ethylpyrazol-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114251440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).