3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol

C15H19N3O2S — CID 115916082

IUPAC3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
SMILESCCNc1cc(SCC(O)CO)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2S/c1-2-16-13-8-14(21-10-12(20)9-19)18-15(17-13)11-6-4-3-5-7-11/h3-8,12,19-20H,2,9-10H2,1H3,(H,16,17,18)
InChIKeyGOYVBNQVLQPNKJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.02
Rot. Bonds7

About 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol

3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol (PubChem CID 115916082) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
PubChem CID115916082
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
SMILESCCNc1cc(SCC(O)CO)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2S/c1-2-16-13-8-14(21-10-12(20)9-19)18-15(17-13)11-6-4-3-5-7-11/h3-8,12,19-20H,2,9-10H2,1H3,(H,16,17,18)
InChIKeyGOYVBNQVLQPNKJ-UHFFFAOYSA-N
XLogP2.02
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80895045
6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
CID 115916084
N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
CID 115916062
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
CID 112560009
N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
CID 112559927
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol?
The IUPAC name of 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol (CID 115916082) is 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol is CCNc1cc(SCC(O)CO)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol?
The InChIKey is GOYVBNQVLQPNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-16-13-8-14(21-10-12(20)9-19)18-15(17-13)11-6-4-3-5-7-11/h3-8,12,19-20H,2,9-10H2,1H3,(H,16,17,18).
What are the key properties of 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol?
3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol has a molecular weight of 305.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 115916082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).