2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

C13H13N5S — CID 90907778

IUPAC2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(C(C#N)c2ccnc(NC3CC3)n2)n1
InChIInChI=1S/C13H13N5S/c1-8-7-19-12(16-8)10(6-14)11-4-5-15-13(18-11)17-9-2-3-9/h4-5,7,9-10H,2-3H2,1H3,(H,15,17,18)
InChIKeyPMJWUFIIRDTWOI-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.47
Rot. Bonds4

About 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile

2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 90907778) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID90907778
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SMILESCc1csc(C(C#N)c2ccnc(NC3CC3)n2)n1
InChIInChI=1S/C13H13N5S/c1-8-7-19-12(16-8)10(6-14)11-4-5-15-13(18-11)17-9-2-3-9/h4-5,7,9-10H,2-3H2,1H3,(H,15,17,18)
InChIKeyPMJWUFIIRDTWOI-UHFFFAOYSA-N
XLogP2.47
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile (CID 90907778) is 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is Cc1csc(C(C#N)c2ccnc(NC3CC3)n2)n1.
What is the InChIKey of 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is PMJWUFIIRDTWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-7-19-12(16-8)10(6-14)11-4-5-15-13(18-11)17-9-2-3-9/h4-5,7,9-10H,2-3H2,1H3,(H,15,17,18).
What are the key properties of 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile?
2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 271.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 90907778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).