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

C11H14ClN5S — CID 80828020

IUPAC5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCCc2nc(C)cs2)n1
InChIInChI=1S/C11H14ClN5S/c1-7-6-18-9(16-7)3-4-14-10-8(12)5-15-11(13-2)17-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15,17)
InChIKeyOGOWKOZYADJXEB-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.59
Rot. Bonds5

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

5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80828020) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80828020
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCCc2nc(C)cs2)n1
InChIInChI=1S/C11H14ClN5S/c1-7-6-18-9(16-7)3-4-14-10-8(12)5-15-11(13-2)17-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15,17)
InChIKeyOGOWKOZYADJXEB-UHFFFAOYSA-N
XLogP2.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598
5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79728660
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-amine
CID 106571825
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80828020) is 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCCc2nc(C)cs2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is OGOWKOZYADJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-7-6-18-9(16-7)3-4-14-10-8(12)5-15-11(13-2)17-10/h5-6H,3-4H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 283.79 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80828020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).