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

C16H20N6S — CID 46998531

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1ncsc1CCNc1nccc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H20N6S/c1-10-14(23-9-19-10)6-8-18-16-17-7-5-13(20-16)15-11(2)21-22(4)12(15)3/h5,7,9H,6,8H2,1-4H3,(H,17,18,20)
InChIKeyAVDYHMDAYYDXBW-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46998531) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46998531
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1ncsc1CCNc1nccc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H20N6S/c1-10-14(23-9-19-10)6-8-18-16-17-7-5-13(20-16)15-11(2)21-22(4)12(15)3/h5,7,9H,6,8H2,1-4H3,(H,17,18,20)
InChIKeyAVDYHMDAYYDXBW-UHFFFAOYSA-N
XLogP2.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46998531) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1ncsc1CCNc1nccc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is AVDYHMDAYYDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-10-14(23-9-19-10)6-8-18-16-17-7-5-13(20-16)15-11(2)21-22(4)12(15)3/h5,7,9H,6,8H2,1-4H3,(H,17,18,20).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 328.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46998531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).