5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine

C9H10ClN5S — CID 80808035

IUPAC5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2nccs2)n1
InChIInChI=1S/C9H10ClN5S/c1-11-9-14-4-6(10)8(15-9)13-5-7-12-2-3-16-7/h2-4H,5H2,1H3,(H2,11,13,14,15)
InChIKeyXGYGTJRXAZMFJO-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.24
Rot. Bonds4

About 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80808035) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80808035
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2nccs2)n1
InChIInChI=1S/C9H10ClN5S/c1-11-9-14-4-6(10)8(15-9)13-5-7-12-2-3-16-7/h2-4H,5H2,1H3,(H2,11,13,14,15)
InChIKeyXGYGTJRXAZMFJO-UHFFFAOYSA-N
XLogP2.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
5-chloro-2-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848842
5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 82875453
5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80813779
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114170995
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851413
5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886316

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (CID 80808035) is 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCc2nccs2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XGYGTJRXAZMFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-11-9-14-4-6(10)8(15-9)13-5-7-12-2-3-16-7/h2-4H,5H2,1H3,(H2,11,13,14,15).
What are the key properties of 5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 255.73 g/mol, XLogP of 2.24, 4 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-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).