4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine

C14H16ClN3OS — CID 146671786

IUPAC4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
SMILESCCSCc1ccc(COc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C14H16ClN3OS/c1-2-20-9-11-5-3-10(4-6-11)8-19-13-7-12(15)17-14(16)18-13/h3-7H,2,8-9H2,1H3,(H2,16,17,18)
InChIKeyGZFXVVYUIAIRAT-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.54
Rot. Bonds6

About 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine

4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine (PubChem CID 146671786) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
PubChem CID146671786
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
SMILESCCSCc1ccc(COc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C14H16ClN3OS/c1-2-20-9-11-5-3-10(4-6-11)8-19-13-7-12(15)17-14(16)18-13/h3-7H,2,8-9H2,1H3,(H2,16,17,18)
InChIKeyGZFXVVYUIAIRAT-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86632760
6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
CID 80738859
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine (CID 146671786) is 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine is CCSCc1ccc(COc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine?
The InChIKey is GZFXVVYUIAIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-20-9-11-5-3-10(4-6-11)8-19-13-7-12(15)17-14(16)18-13/h3-7H,2,8-9H2,1H3,(H2,16,17,18).
What are the key properties of 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine?
4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine has a molecular weight of 309.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine is sourced from PubChem (CID 146671786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).