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

C12H17N5S — CID 80811601

IUPAC5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(C)Cc1csc(C)n1
InChIInChI=1S/C12H17N5S/c1-4-10-11(13)14-7-15-12(10)17(3)5-9-6-18-8(2)16-9/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyROYXHPJEEGYGJB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.02
Rot. Bonds4

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

5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80811601) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80811601
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1N(C)Cc1csc(C)n1
InChIInChI=1S/C12H17N5S/c1-4-10-11(13)14-7-15-12(10)17(3)5-9-6-18-8(2)16-9/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyROYXHPJEEGYGJB-UHFFFAOYSA-N
XLogP2.02
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 79916923
6-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 47453755
5-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80781371
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982705
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99782514
6-N-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811753
2-ethyl-4-N,6-N,5-trimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80982568

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80811601) is 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1N(C)Cc1csc(C)n1.
What is the InChIKey of 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ROYXHPJEEGYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-10-11(13)14-7-15-12(10)17(3)5-9-6-18-8(2)16-9/h6-7H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80811601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).