5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane

C20H30N4O3S — CID 143274498

IUPAC5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane
SMILESCCc1c(CCc2ccccc2)ncnc1NC.NS(=O)OCC1CCCO1
InChIInChI=1S/C15H19N3.C5H11NO3S/c1-3-13-14(17-11-18-15(13)16-2)10-9-12-7-5-4-6-8-12;6-10(7)9-4-5-2-1-3-8-5/h4-8,11H,3,9-10H2,1-2H3,(H,16,17,18);5H,1-4,6H2
InChIKeyQCFJNPYSGNMUAY-UHFFFAOYSA-N
MW406.55 g/mol
LogP2.59
Rot. Bonds8

About 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane

5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane (PubChem CID 143274498) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane
PubChem CID143274498
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane
SMILESCCc1c(CCc2ccccc2)ncnc1NC.NS(=O)OCC1CCCO1
InChIInChI=1S/C15H19N3.C5H11NO3S/c1-3-13-14(17-11-18-15(13)16-2)10-9-12-7-5-4-6-8-12;6-10(7)9-4-5-2-1-3-8-5/h4-8,11H,3,9-10H2,1-2H3,(H,16,17,18);5H,1-4,6H2
InChIKeyQCFJNPYSGNMUAY-UHFFFAOYSA-N
XLogP2.59
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine
CID 143274500
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
[6-(oxolan-2-ylmethoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80912557
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
5-nitro-4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 23481474
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane?
The IUPAC name of 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane (CID 143274498) is 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane.
What is the SMILES notation for 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane?
The canonical SMILES for 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane is CCc1c(CCc2ccccc2)ncnc1NC.NS(=O)OCC1CCCO1.
What is the InChIKey of 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane?
The InChIKey is QCFJNPYSGNMUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.C5H11NO3S/c1-3-13-14(17-11-18-15(13)16-2)10-9-12-7-5-4-6-8-12;6-10(7)9-4-5-2-1-3-8-5/h4-8,11H,3,9-10H2,1-2H3,(H,16,17,18);5H,1-4,6H2.
What are the key properties of 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane?
5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane has a molecular weight of 406.55 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-(2-phenylethyl)pyrimidin-4-amine;2-(sulfinamoyloxymethyl)oxolane is sourced from PubChem (CID 143274498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).