6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine

C14H17ClN4OS — CID 19136670

IUPAC6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
SMILESCOCC(C)Nc1ncnc(Sc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H17ClN4OS/c1-9(7-20-2)19-13-12(16)14(18-8-17-13)21-11-5-3-10(15)4-6-11/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyMOECGWMBJKTWSC-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.31
Rot. Bonds6

About 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine

6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine (PubChem CID 19136670) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
PubChem CID19136670
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
SMILESCOCC(C)Nc1ncnc(Sc2ccc(Cl)cc2)c1N
InChIInChI=1S/C14H17ClN4OS/c1-9(7-20-2)19-13-12(16)14(18-8-17-13)21-11-5-3-10(15)4-6-11/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyMOECGWMBJKTWSC-UHFFFAOYSA-N
XLogP3.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
4-N-butyl-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19134776
6-(4-chlorophenyl)sulfanyl-4-N-hexadecylpyrimidine-4,5-diamine
CID 19136540
6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135526
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719
dimethyl 5-[[5-amino-6-(4-chlorophenyl)sulfanylpyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547577
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
4-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine (CID 19136670) is 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine is COCC(C)Nc1ncnc(Sc2ccc(Cl)cc2)c1N.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is MOECGWMBJKTWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9(7-20-2)19-13-12(16)14(18-8-17-13)21-11-5-3-10(15)4-6-11/h3-6,8-9H,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine?
6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 324.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19136670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).