2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile

C11H9N5S — CID 107543959

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C11H9N5S/c12-5-8-3-4-13-10(14-8)16-11-15-9(6-17-11)7-1-2-7/h3-4,6-7H,1-2H2,(H,13,14,15,16)
InChIKeyZOOYIVJKFLAFHT-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.43
Rot. Bonds3

About 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107543959) has the molecular formula C11H9N5S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107543959
Molecular FormulaC11H9N5S
Molecular Weight243.29 g/mol
Exact Mass243.06
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2nc(C3CC3)cs2)n1
InChIInChI=1S/C11H9N5S/c12-5-8-3-4-13-10(14-8)16-11-15-9(6-17-11)7-1-2-7/h3-4,6-7H,1-2H2,(H,13,14,15,16)
InChIKeyZOOYIVJKFLAFHT-UHFFFAOYSA-N
XLogP2.43
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile (CID 107543959) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile is N#Cc1ccnc(Nc2nc(C3CC3)cs2)n1.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is ZOOYIVJKFLAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-5-8-3-4-13-10(14-8)16-11-15-9(6-17-11)7-1-2-7/h3-4,6-7H,1-2H2,(H,13,14,15,16).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).