N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C15H18N6S — CID 46996147

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(NCCc2cscn2)n1
InChIInChI=1S/C15H18N6S/c1-10-14(11(2)21(3)20-10)13-5-7-17-15(19-13)16-6-4-12-8-22-9-18-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,19)
InChIKeyAHYSNTNIGXIHAQ-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46996147) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46996147
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(NCCc2cscn2)n1
InChIInChI=1S/C15H18N6S/c1-10-14(11(2)21(3)20-10)13-5-7-17-15(19-13)16-6-4-12-8-22-9-18-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,19)
InChIKeyAHYSNTNIGXIHAQ-UHFFFAOYSA-N
XLogP2.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46996147) is N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)c(C)c1-c1ccnc(NCCc2cscn2)n1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is AHYSNTNIGXIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-10-14(11(2)21(3)20-10)13-5-7-17-15(19-13)16-6-4-12-8-22-9-18-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,19).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 314.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46996147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).