4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine

C12H17N5S — CID 72853672

IUPAC4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CN(C)c2nc(N)nc(C)c2C)n1
InChIInChI=1S/C12H17N5S/c1-7-6-18-10(14-7)5-17(4)11-8(2)9(3)15-12(13)16-11/h6H,5H2,1-4H3,(H2,13,15,16)
InChIKeyDSTNYTNWTOTASE-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.08
Rot. Bonds3

About 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine

4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72853672) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72853672
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CN(C)c2nc(N)nc(C)c2C)n1
InChIInChI=1S/C12H17N5S/c1-7-6-18-10(14-7)5-17(4)11-8(2)9(3)15-12(13)16-11/h6H,5H2,1-4H3,(H2,13,15,16)
InChIKeyDSTNYTNWTOTASE-UHFFFAOYSA-N
XLogP2.08
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 72853672) is 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1csc(CN(C)c2nc(N)nc(C)c2C)n1.
What is the InChIKey of 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DSTNYTNWTOTASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-7-6-18-10(14-7)5-17(4)11-8(2)9(3)15-12(13)16-11/h6H,5H2,1-4H3,(H2,13,15,16).
What are the key properties of 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5,6-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72853672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).