4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine

C14H16ClN3S — CID 25153183

IUPAC4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(NC(C)C)n1
InChIInChI=1S/C14H16ClN3S/c1-9(2)16-14-17-12(8-13(18-14)19-3)10-4-6-11(15)7-5-10/h4-9H,1-3H3,(H,16,17,18)
InChIKeyRMPUFYZAOPWZNW-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.34
Rot. Bonds4

About 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine

4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 25153183) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID25153183
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(NC(C)C)n1
InChIInChI=1S/C14H16ClN3S/c1-9(2)16-14-17-12(8-13(18-14)19-3)10-4-6-11(15)7-5-10/h4-9H,1-3H3,(H,16,17,18)
InChIKeyRMPUFYZAOPWZNW-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
4-N-[2-(4-chlorophenyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146258670
4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 112554781
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
CID 14551214
4-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821870
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892474

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine (CID 25153183) is 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine is CSc1cc(-c2ccc(Cl)cc2)nc(NC(C)C)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is RMPUFYZAOPWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-9(2)16-14-17-12(8-13(18-14)19-3)10-4-6-11(15)7-5-10/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 293.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 25153183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).