N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine

C11H15N3O3S — CID 66329616

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2C=CS(=O)(=O)C2)ncn1
InChIInChI=1S/C11H15N3O3S/c1-8(2)17-11-5-10(12-7-13-11)14-9-3-4-18(15,16)6-9/h3-5,7-9H,6H2,1-2H3,(H,12,13,14)
InChIKeyYBNWTZKQYZHIKR-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.99
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66329616) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66329616
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2C=CS(=O)(=O)C2)ncn1
InChIInChI=1S/C11H15N3O3S/c1-8(2)17-11-5-10(12-7-13-11)14-9-3-4-18(15,16)6-9/h3-5,7-9H,6H2,1-2H3,(H,12,13,14)
InChIKeyYBNWTZKQYZHIKR-UHFFFAOYSA-N
XLogP0.99
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyrimidine-4,6-diamine
CID 114561870
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 66331604
N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330565
N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
CID 113395027
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
CID 114547927
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]propanamide
CID 66329750
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 115365986
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine (CID 66329616) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NC2C=CS(=O)(=O)C2)ncn1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is YBNWTZKQYZHIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8(2)17-11-5-10(12-7-13-11)14-9-3-4-18(15,16)6-9/h3-5,7-9H,6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66329616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).