6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine

C10H12ClN5S — CID 106195075

IUPAC6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C10H12ClN5S/c1-17-10-15-8(11)4-9(16-10)13-3-2-7-5-12-6-14-7/h4-6H,2-3H2,1H3,(H,12,14)(H,13,15,16)
InChIKeyICTQQVZXUFSBOP-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.23
Rot. Bonds5

About 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 106195075) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID106195075
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC Name6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C10H12ClN5S/c1-17-10-15-8(11)4-9(16-10)13-3-2-7-5-12-6-14-7/h4-6H,2-3H2,1H3,(H,12,14)(H,13,15,16)
InChIKeyICTQQVZXUFSBOP-UHFFFAOYSA-N
XLogP2.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106196856
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanylpyrimidin-4-amine
CID 114156690
6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80547131
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
CID 56711259
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326106
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine (CID 106195075) is 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(NCCc2cnc[nH]2)n1.
What is the InChIKey of 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is ICTQQVZXUFSBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-17-10-15-8(11)4-9(16-10)13-3-2-7-5-12-6-14-7/h4-6H,2-3H2,1H3,(H,12,14)(H,13,15,16).
What are the key properties of 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 269.76 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).