N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine

C19H27N3O3S — CID 58207816

IUPACN-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine
SMILESCCNc1nc(S(C)(=O)=O)ncc1Cc1cc(OC)c(C)cc1C(C)C
InChIInChI=1S/C19H27N3O3S/c1-7-20-18-15(11-21-19(22-18)26(6,23)24)9-14-10-17(25-5)13(4)8-16(14)12(2)3/h8,10-12H,7,9H2,1-6H3,(H,20,21,22)
InChIKeyIVOWDPDTPKHLNU-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.34
Rot. Bonds7

About N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine

N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine (PubChem CID 58207816) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine
PubChem CID58207816
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine
SMILESCCNc1nc(S(C)(=O)=O)ncc1Cc1cc(OC)c(C)cc1C(C)C
InChIInChI=1S/C19H27N3O3S/c1-7-20-18-15(11-21-19(22-18)26(6,23)24)9-14-10-17(25-5)13(4)8-16(14)12(2)3/h8,10-12H,7,9H2,1-6H3,(H,20,21,22)
InChIKeyIVOWDPDTPKHLNU-UHFFFAOYSA-N
XLogP3.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine (CID 58207816) is N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine is CCNc1nc(S(C)(=O)=O)ncc1Cc1cc(OC)c(C)cc1C(C)C.
What is the InChIKey of N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is IVOWDPDTPKHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-7-20-18-15(11-21-19(22-18)26(6,23)24)9-14-10-17(25-5)13(4)8-16(14)12(2)3/h8,10-12H,7,9H2,1-6H3,(H,20,21,22).
What are the key properties of N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine?
N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 377.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 58207816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).