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

C12H17N5S — CID 75422024

IUPAC2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CN(C)c2ccnc(N(C)C)n2)n1
InChIInChI=1S/C12H17N5S/c1-9-8-18-11(14-9)7-17(4)10-5-6-13-12(15-10)16(2)3/h5-6,8H,7H2,1-4H3
InChIKeyQLFGLJFTQLGLMC-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.94
Rot. Bonds4

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

2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 75422024) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID75422024
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CN(C)c2ccnc(N(C)C)n2)n1
InChIInChI=1S/C12H17N5S/c1-9-8-18-11(14-9)7-17(4)10-5-6-13-12(15-10)16(2)3/h5-6,8H,7H2,1-4H3
InChIKeyQLFGLJFTQLGLMC-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 75422024) is 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QLFGLJFTQLGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-8-18-11(14-9)7-17(4)10-5-6-13-12(15-10)16(2)3/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-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 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 75422024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).