2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine

C20H19N3OS — CID 11864206

IUPAC2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-2-13-21-19-14-17(15-25(24)18-11-7-4-8-12-18)22-20(23-19)16-9-5-3-6-10-16/h2-12,14H,1,13,15H2,(H,21,22,23)/t25-/m1/s1
InChIKeyDMBNHCLFZSQWGC-RUZDIDTESA-N
MW349.46 g/mol
LogP4.05
Rot. Bonds7

About 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine

2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine (PubChem CID 11864206) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine
PubChem CID11864206
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19N3OS/c1-2-13-21-19-14-17(15-25(24)18-11-7-4-8-12-18)22-20(23-19)16-9-5-3-6-10-16/h2-12,14H,1,13,15H2,(H,21,22,23)/t25-/m1/s1
InChIKeyDMBNHCLFZSQWGC-RUZDIDTESA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
N-benzyl-6-[[(S)-(4-chlorophenyl)sulfinyl]methyl]-2-phenylpyrimidin-4-amine
CID 40822494
6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-N-prop-2-enylpyrimidin-4-amine
CID 3802142
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
4-N-butan-2-yl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879574
4-N-(4-fluorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879656
methyl 4-[[2-phenyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate
CID 112879681
2-phenyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112879634
4-N-(3-chlorophenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879658
N-butan-2-yl-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112851959
6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879637

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine (CID 11864206) is 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is DMBNHCLFZSQWGC-RUZDIDTESA-N. The full InChI is InChI=1S/C20H19N3OS/c1-2-13-21-19-14-17(15-25(24)18-11-7-4-8-12-18)22-20(23-19)16-9-5-3-6-10-16/h2-12,14H,1,13,15H2,(H,21,22,23)/t25-/m1/s1.
What are the key properties of 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine?
2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[[(R)-phenylsulfinyl]methyl]-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 11864206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).