4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol

C14H12ClN5O — CID 136771954

IUPAC4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
SMILESCn1cc(-c2cc(N)nc(-c3ccc(O)c(Cl)c3)n2)cn1
InChIInChI=1S/C14H12ClN5O/c1-20-7-9(6-17-20)11-5-13(16)19-14(18-11)8-2-3-12(21)10(15)4-8/h2-7,21H,1H3,(H2,16,18,19)
InChIKeySONKIILKPVRFRN-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.49
Rot. Bonds2

About 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol

4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol (PubChem CID 136771954) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
PubChem CID136771954
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol
SMILESCn1cc(-c2cc(N)nc(-c3ccc(O)c(Cl)c3)n2)cn1
InChIInChI=1S/C14H12ClN5O/c1-20-7-9(6-17-20)11-5-13(16)19-14(18-11)8-2-3-12(21)10(15)4-8/h2-7,21H,1H3,(H2,16,18,19)
InChIKeySONKIILKPVRFRN-UHFFFAOYSA-N
XLogP2.49
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715705
2-(5-bromo-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715549
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715571
2-(5-ethylfuran-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716043
2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
CID 136927109
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106716060
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol?
The IUPAC name of 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol (CID 136771954) is 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol.
What is the SMILES notation for 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol?
The canonical SMILES for 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol is Cn1cc(-c2cc(N)nc(-c3ccc(O)c(Cl)c3)n2)cn1.
What is the InChIKey of 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol?
The InChIKey is SONKIILKPVRFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-20-7-9(6-17-20)11-5-13(16)19-14(18-11)8-2-3-12(21)10(15)4-8/h2-7,21H,1H3,(H2,16,18,19).
What are the key properties of 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol?
4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol has a molecular weight of 301.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-2-chlorophenol is sourced from PubChem (CID 136771954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).