4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine

C13H14N6 — CID 66830222

IUPAC4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccccc2-n2cccn2)C=CN1
InChIInChI=1S/C13H14N6/c14-12-16-8-6-13(15,18-12)10-4-1-2-5-11(10)19-9-3-7-17-19/h1-9H,15H2,(H3,14,16,18)
InChIKeyGILMDVBAXBNGOF-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.42
Rot. Bonds2

About 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine

4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine (PubChem CID 66830222) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine
PubChem CID66830222
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccccc2-n2cccn2)C=CN1
InChIInChI=1S/C13H14N6/c14-12-16-8-6-13(15,18-12)10-4-1-2-5-11(10)19-9-3-7-17-19/h1-9H,15H2,(H3,14,16,18)
InChIKeyGILMDVBAXBNGOF-UHFFFAOYSA-N
XLogP0.42
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine (CID 66830222) is 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(c2ccccc2-n2cccn2)C=CN1.
What is the InChIKey of 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is GILMDVBAXBNGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-12-16-8-6-13(15,18-12)10-4-1-2-5-11(10)19-9-3-7-17-19/h1-9H,15H2,(H3,14,16,18).
What are the key properties of 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine?
4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 254.30 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylphenyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 66830222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).