4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile

C15H10F2N6 — CID 155907509

IUPAC4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1-c1cnn(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21)
InChIKeyXIBXZPKIDAMNCF-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.12
Rot. Bonds3

About 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile

4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile (PubChem CID 155907509) has the molecular formula C15H10F2N6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
PubChem CID155907509
Molecular FormulaC15H10F2N6
Molecular Weight312.28 g/mol
Exact Mass312.09
IUPAC Name4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1-c1cnn(Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21)
InChIKeyXIBXZPKIDAMNCF-UHFFFAOYSA-N
XLogP2.12
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile (CID 155907509) is 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1-c1cnn(Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
The InChIKey is XIBXZPKIDAMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21).
What are the key properties of 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile has a molecular weight of 312.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155907509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).