5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine

C11H11ClN4S — CID 55127747

IUPAC5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccnc(SCc2nc(N)ccc2Cl)n1
InChIInChI=1S/C11H11ClN4S/c1-7-4-5-14-11(15-7)17-6-9-8(12)2-3-10(13)16-9/h2-5H,6H2,1H3,(H2,13,16)
InChIKeyLSHZHURTGGXDLQ-UHFFFAOYSA-N
MW266.76 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine

5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 55127747) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID55127747
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccnc(SCc2nc(N)ccc2Cl)n1
InChIInChI=1S/C11H11ClN4S/c1-7-4-5-14-11(15-7)17-6-9-8(12)2-3-10(13)16-9/h2-5H,6H2,1H3,(H2,13,16)
InChIKeyLSHZHURTGGXDLQ-UHFFFAOYSA-N
XLogP2.71
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62268189
2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine
CID 123240573
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62886010
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
2-chloro-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80607282
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 62268712
2-[(2-chloro-5-nitrophenyl)methylsulfanyl]-4-methylpyrimidine
CID 62267130
[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 55128212
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine (CID 55127747) is 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine is Cc1ccnc(SCc2nc(N)ccc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is LSHZHURTGGXDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-7-4-5-14-11(15-7)17-6-9-8(12)2-3-10(13)16-9/h2-5H,6H2,1H3,(H2,13,16).
What are the key properties of 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine?
5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 266.76 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 55127747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).