5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine

C12H16ClN5S — CID 80807513

IUPAC5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C12H16ClN5S/c1-6-10(19-8(3)16-6)7(2)17-11-9(13)5-15-12(14-4)18-11/h5,7H,1-4H3,(H2,14,15,17,18)
InChIKeyVPRRAARPQZGSCD-UHFFFAOYSA-N
MW297.82 g/mol
LogP3.42
Rot. Bonds4

About 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80807513) has the molecular formula C12H16ClN5S and a molecular weight of 297.82 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID80807513
Molecular FormulaC12H16ClN5S
Molecular Weight297.82 g/mol
Exact Mass297.08
IUPAC Name5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C12H16ClN5S/c1-6-10(19-8(3)16-6)7(2)17-11-9(13)5-15-12(14-4)18-11/h5,7H,1-4H3,(H2,14,15,17,18)
InChIKeyVPRRAARPQZGSCD-UHFFFAOYSA-N
XLogP3.42
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
CID 55162820
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoropyrimidin-2-amine
CID 113286044
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750614
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80808190
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 107061996
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750764
5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114115361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine (CID 80807513) is 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC(C)c2sc(C)nc2C)n1.
What is the InChIKey of 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VPRRAARPQZGSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5S/c1-6-10(19-8(3)16-6)7(2)17-11-9(13)5-15-12(14-4)18-11/h5,7H,1-4H3,(H2,14,15,17,18).
What are the key properties of 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 297.82 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80807513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).