N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine

C18H25N3S — CID 10686839

IUPACN-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1SC
InChIInChI=1S/C18H25N3S/c1-7-21(18-19-13(4)10-14(5)20-18)16-9-8-15(12(2)3)11-17(16)22-6/h8-12H,7H2,1-6H3
InChIKeyKSBRTKROJARSOL-UHFFFAOYSA-N
MW315.49 g/mol
LogP5.10
Rot. Bonds5

About N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine

N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 10686839) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID10686839
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1SC
InChIInChI=1S/C18H25N3S/c1-7-21(18-19-13(4)10-14(5)20-18)16-9-8-15(12(2)3)11-17(16)22-6/h8-12H,7H2,1-6H3
InChIKeyKSBRTKROJARSOL-UHFFFAOYSA-N
XLogP5.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine (CID 10686839) is N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine is CCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1SC.
What is the InChIKey of N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is KSBRTKROJARSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-7-21(18-19-13(4)10-14(5)20-18)16-9-8-15(12(2)3)11-17(16)22-6/h8-12H,7H2,1-6H3.
What are the key properties of N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine?
N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 315.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10686839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).