6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine

C9H12N6 — CID 106878454

IUPAC6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCn1cc(-c2cc(N)nc(N)n2)cn1
InChIInChI=1S/C9H12N6/c1-2-15-5-6(4-12-15)7-3-8(10)14-9(11)13-7/h3-5H,2H2,1H3,(H4,10,11,13,14)
InChIKeyYDFRPMRZCLJZBU-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.52
Rot. Bonds2

About 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine

6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 106878454) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID106878454
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCn1cc(-c2cc(N)nc(N)n2)cn1
InChIInChI=1S/C9H12N6/c1-2-15-5-6(4-12-15)7-3-8(10)14-9(11)13-7/h3-5H,2H2,1H3,(H4,10,11,13,14)
InChIKeyYDFRPMRZCLJZBU-UHFFFAOYSA-N
XLogP0.52
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine
CID 167921753
6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
CID 92627903
4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 46974204
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
CID 102824444
6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769306
4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine
CID 140961395
2-amino-4-(1-ethylpyrazol-4-yl)-6-[1-(4-fluorophenyl)pyrazol-4-yl]pyridine-3-carbonitrile
CID 56869931
[3-(1-ethylpyrazol-4-yl)phenyl]boronic acid
CID 130141673
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
3-chloro-4-(1-ethylpyrazol-4-yl)aniline
CID 107615727

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 106878454) is 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine is CCn1cc(-c2cc(N)nc(N)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is YDFRPMRZCLJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-2-15-5-6(4-12-15)7-3-8(10)14-9(11)13-7/h3-5H,2H2,1H3,(H4,10,11,13,14).
What are the key properties of 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 204.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106878454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).