4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine

C10H16N4O2S — CID 80786197

IUPAC4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C10H16N4O2S/c1-2-11-9-5-10(13-7-12-9)14-8-3-4-17(15,16)6-8/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyIJUFKBQCSXVJBJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.51
Rot. Bonds4

About 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80786197) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80786197
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C10H16N4O2S/c1-2-11-9-5-10(13-7-12-9)14-8-3-4-17(15,16)6-8/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyIJUFKBQCSXVJBJ-UHFFFAOYSA-N
XLogP0.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
CID 70718145
4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-ethyl-N-methylpyrimidin-2-amine
CID 70740748
N-{4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]pyrimidin-2-yl}-N,N',N'-trimethylpropane-1,3-diamine
CID 70773247
N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72909170
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 178300085
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 45502760
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]ethanesulfonamide
CID 53185809
(4aR*,7aS*)-1-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70705703
N~4~-methyl-N~2~-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrimidine-2,4-diamine
CID 50950229
5-bromo-2-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-2,4-diamine
CID 86802893
N-(cyclopropylmethyl)-6-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]pyrimidin-4-amine
CID 97881617
4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylpyrimidin-2-amine
CID 133126299

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine (CID 80786197) is 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCS(=O)(=O)C2)ncn1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is IJUFKBQCSXVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-11-9-5-10(13-7-12-9)14-8-3-4-17(15,16)6-8/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 256.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80786197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).