4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine

C11H10ClN3S — CID 80892674

IUPAC4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Sc1cccc(Cl)c1
InChIInChI=1S/C11H10ClN3S/c1-7-6-14-11(13)15-10(7)16-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyDNLMLGGFGBSNNB-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.17
Rot. Bonds2

About 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine

4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine (PubChem CID 80892674) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
PubChem CID80892674
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Sc1cccc(Cl)c1
InChIInChI=1S/C11H10ClN3S/c1-7-6-14-11(13)15-10(7)16-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyDNLMLGGFGBSNNB-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 104507662
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80883561
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
CID 89255962
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
N-[[6-(3-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80639728
2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
CID 55101658
5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
CID 63868684
6-(3-chlorophenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80892292
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine (CID 80892674) is 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1Sc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine?
The InChIKey is DNLMLGGFGBSNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-7-6-14-11(13)15-10(7)16-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine?
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine has a molecular weight of 251.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80892674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).