4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

C19H16N6S — CID 74236903

IUPAC4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NCCc3csc(-c4cccnc4)n3)n2)nc1
InChIInChI=1S/C19H16N6S/c1-2-9-21-16(5-1)17-7-11-23-19(25-17)22-10-6-15-13-26-18(24-15)14-4-3-8-20-12-14/h1-5,7-9,11-13H,6,10H2,(H,22,23,25)
InChIKeyCRRDHBCPCCMTNW-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.71
Rot. Bonds6

About 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 74236903) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID74236903
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESc1ccc(-c2ccnc(NCCc3csc(-c4cccnc4)n3)n2)nc1
InChIInChI=1S/C19H16N6S/c1-2-9-21-16(5-1)17-7-11-23-19(25-17)22-10-6-15-13-26-18(24-15)14-4-3-8-20-12-14/h1-5,7-9,11-13H,6,10H2,(H,22,23,25)
InChIKeyCRRDHBCPCCMTNW-UHFFFAOYSA-N
XLogP3.71
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 74236903) is 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is c1ccc(-c2ccnc(NCCc3csc(-c4cccnc4)n3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is CRRDHBCPCCMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c1-2-9-21-16(5-1)17-7-11-23-19(25-17)22-10-6-15-13-26-18(24-15)14-4-3-8-20-12-14/h1-5,7-9,11-13H,6,10H2,(H,22,23,25).
What are the key properties of 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 360.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 74236903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).