5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine

C9H10ClN5S — CID 107784969

IUPAC5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C9H10ClN5S/c1-2-11-8-14-5-6(10)7(15-8)16-9-12-3-4-13-9/h3-5H,2H2,1H3,(H,12,13)(H,11,14,15)
InChIKeyVXAOKRPQPKRECB-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine

5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 107784969) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID107784969
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Sc2ncc[nH]2)n1
InChIInChI=1S/C9H10ClN5S/c1-2-11-8-14-5-6(10)7(15-8)16-9-12-3-4-13-9/h3-5H,2H2,1H3,(H,12,13)(H,11,14,15)
InChIKeyVXAOKRPQPKRECB-UHFFFAOYSA-N
XLogP2.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
5-chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80884924
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
3-[5-chloro-2-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894566
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
CID 107780767
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
5-chloro-N-ethyl-4-(4-nitrophenyl)sulfanylpyrimidin-2-amine
CID 80883945
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine (CID 107784969) is 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine is CCNc1ncc(Cl)c(Sc2ncc[nH]2)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is VXAOKRPQPKRECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-2-11-8-14-5-6(10)7(15-8)16-9-12-3-4-13-9/h3-5H,2H2,1H3,(H,12,13)(H,11,14,15).
What are the key properties of 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine?
5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 255.73 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 107784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).