4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine

C13H14ClN3OS — CID 1476311

IUPAC4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cnc(N(C)C)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)13-15-8-11(18-3)12(16-13)19-10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKeyKIDAJGBWGILQDN-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine

4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 1476311) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID1476311
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cnc(N(C)C)nc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c1-17(2)13-15-8-11(18-3)12(16-13)19-10-6-4-9(14)5-7-10/h4-8H,1-3H3
InChIKeyKIDAJGBWGILQDN-UHFFFAOYSA-N
XLogP3.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine (CID 1476311) is 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine is COc1cnc(N(C)C)nc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is KIDAJGBWGILQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(2)13-15-8-11(18-3)12(16-13)19-10-6-4-9(14)5-7-10/h4-8H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine?
4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 295.80 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-5-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 1476311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).