5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine

C15H16FN7S — CID 137334463

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2csc(-c3ncccn3)n2)ncc1F
InChIInChI=1S/C15H16FN7S/c1-23(2)13-11(16)8-20-15(22-13)19-7-4-10-9-24-14(21-10)12-17-5-3-6-18-12/h3,5-6,8-9H,4,7H2,1-2H3,(H,19,20,22)
InChIKeyOVZDVTGTWXQUJG-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.25
Rot. Bonds6

About 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 137334463) has the molecular formula C15H16FN7S and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID137334463
Molecular FormulaC15H16FN7S
Molecular Weight345.41 g/mol
Exact Mass345.12
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2csc(-c3ncccn3)n2)ncc1F
InChIInChI=1S/C15H16FN7S/c1-23(2)13-11(16)8-20-15(22-13)19-7-4-10-9-24-14(21-10)12-17-5-3-6-18-12/h3,5-6,8-9H,4,7H2,1-2H3,(H,19,20,22)
InChIKeyOVZDVTGTWXQUJG-UHFFFAOYSA-N
XLogP2.25
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
N-methylsulfanyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 123831691
2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118775327
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrimidine-2,4-diamine
CID 72877914
2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 137341603
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
(2S)-1-(dimethylamino)-3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]propan-2-ol
CID 125441184
5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 72867046
(1S)-1-(3,4-difluorophenyl)-N-methyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95304251
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
4-(2,6-dimethyl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 56863565

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 137334463) is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is CN(C)c1nc(NCCc2csc(-c3ncccn3)n2)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is OVZDVTGTWXQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7S/c1-23(2)13-11(16)8-20-15(22-13)19-7-4-10-9-24-14(21-10)12-17-5-3-6-18-12/h3,5-6,8-9H,4,7H2,1-2H3,(H,19,20,22).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 345.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 137334463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).