4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol

C14H12ClN5O — CID 155203647

IUPAC4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
SMILESCn1cc(Nc2ncc(Cl)c(-c3ccc(O)cc3)n2)cn1
InChIInChI=1S/C14H12ClN5O/c1-20-8-10(6-17-20)18-14-16-7-12(15)13(19-14)9-2-4-11(21)5-3-9/h2-8,21H,1H3,(H,16,18,19)
InChIKeyJZFXCNASZMIRCU-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.98
Rot. Bonds3

About 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol

4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol (PubChem CID 155203647) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
PubChem CID155203647
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
SMILESCn1cc(Nc2ncc(Cl)c(-c3ccc(O)cc3)n2)cn1
InChIInChI=1S/C14H12ClN5O/c1-20-8-10(6-17-20)18-14-16-7-12(15)13(19-14)9-2-4-11(21)5-3-9/h2-8,21H,1H3,(H,16,18,19)
InChIKeyJZFXCNASZMIRCU-UHFFFAOYSA-N
XLogP2.98
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol (CID 155203647) is 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol is Cn1cc(Nc2ncc(Cl)c(-c3ccc(O)cc3)n2)cn1.
What is the InChIKey of 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
The InChIKey is JZFXCNASZMIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-20-8-10(6-17-20)18-14-16-7-12(15)13(19-14)9-2-4-11(21)5-3-9/h2-8,21H,1H3,(H,16,18,19).
What are the key properties of 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol has a molecular weight of 301.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 155203647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).