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

C11H14FN5S — CID 80829907

IUPAC2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2scnc2C)n1
InChIInChI=1S/C11H14FN5S/c1-3-13-11-15-4-8(12)10(17-11)14-5-9-7(2)16-6-18-9/h4,6H,3,5H2,1-2H3,(H2,13,14,15,17)
InChIKeyMSVSPECNIFXECG-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.42
Rot. Bonds5

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

2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80829907) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80829907
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2scnc2C)n1
InChIInChI=1S/C11H14FN5S/c1-3-13-11-15-4-8(12)10(17-11)14-5-9-7(2)16-6-18-9/h4,6H,3,5H2,1-2H3,(H2,13,14,15,17)
InChIKeyMSVSPECNIFXECG-UHFFFAOYSA-N
XLogP2.42
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methylpyrimidin-4-amine;chloride;hydrochloride
CID 16192546
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
CID 130419719
Dimethialium
CID 161140
2-Methyl-5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyrimidin-4-amine
CID 12513498
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 72871873
N-[3-(4,5-Dimethyl-1,3-thiazol-2-YL)propyl]-4-methylpyrimidin-2-amine
CID 72931229
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72936462
5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 86817548
2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419730
4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 152559154
4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carbonitrile
CID 156449161
2-Methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 63020197

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 80829907) is 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCc2scnc2C)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MSVSPECNIFXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-3-13-11-15-4-8(12)10(17-11)14-5-9-7(2)16-6-18-9/h4,6H,3,5H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80829907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).