5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol

C18H20ClN5O2 — CID 171660077

IUPAC5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
SMILESNc1ncc(Cl)c(-c2cnn(-c3ccccc3)c2)n1.OC1CCCOC1
InChIInChI=1S/C13H10ClN5.C5H10O2/c14-11-7-16-13(15)18-12(11)9-6-17-19(8-9)10-4-2-1-3-5-10;6-5-2-1-3-7-4-5/h1-8H,(H2,15,16,18);5-6H,1-4H2
InChIKeyWPNUSHLZOGFDTK-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.72
Rot. Bonds2

About 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol

5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol (PubChem CID 171660077) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
PubChem CID171660077
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
SMILESNc1ncc(Cl)c(-c2cnn(-c3ccccc3)c2)n1.OC1CCCOC1
InChIInChI=1S/C13H10ClN5.C5H10O2/c14-11-7-16-13(15)18-12(11)9-6-17-19(8-9)10-4-2-1-3-5-10;6-5-2-1-3-7-4-5/h1-8H,(H2,15,16,18);5-6H,1-4H2
InChIKeyWPNUSHLZOGFDTK-UHFFFAOYSA-N
XLogP2.72
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol (CID 171660077) is 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol is Nc1ncc(Cl)c(-c2cnn(-c3ccccc3)c2)n1.OC1CCCOC1.
What is the InChIKey of 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol?
The InChIKey is WPNUSHLZOGFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5.C5H10O2/c14-11-7-16-13(15)18-12(11)9-6-17-19(8-9)10-4-2-1-3-5-10;6-5-2-1-3-7-4-5/h1-8H,(H2,15,16,18);5-6H,1-4H2.
What are the key properties of 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol?
5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol has a molecular weight of 373.84 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol is sourced from PubChem (CID 171660077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).