2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine

C11H10ClN3S — CID 66153318

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
SMILESNc1cnc(CSc2ccccc2Cl)nc1
InChIInChI=1S/C11H10ClN3S/c12-9-3-1-2-4-10(9)16-7-11-14-5-8(13)6-15-11/h1-6H,7,13H2
InChIKeyMEUTXAICDZZACB-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.00
Rot. Bonds3

About 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine

2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine (PubChem CID 66153318) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
PubChem CID66153318
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
SMILESNc1cnc(CSc2ccccc2Cl)nc1
InChIInChI=1S/C11H10ClN3S/c12-9-3-1-2-4-10(9)16-7-11-14-5-8(13)6-15-11/h1-6H,7,13H2
InChIKeyMEUTXAICDZZACB-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431412
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66153716
5-amino-2-[(2-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 114207012
5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66140184
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanone
CID 66155070
4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66153350
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
2-[(2-chlorophenyl)sulfanylmethyl]-7,8-dihydro-6H-quinazolin-5-one
CID 66155065
2-[(2-chlorophenyl)sulfanylmethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 66154290
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 66142384
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine (CID 66153318) is 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine is Nc1cnc(CSc2ccccc2Cl)nc1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine?
The InChIKey is MEUTXAICDZZACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c12-9-3-1-2-4-10(9)16-7-11-14-5-8(13)6-15-11/h1-6H,7,13H2.
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine?
2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine has a molecular weight of 251.74 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine is sourced from PubChem (CID 66153318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).