2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C20H27N3O2S — CID 133348442

IUPAC2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC(COC1CCOC1)Nc1nc(C2CC2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C20H27N3O2S/c1-12(10-25-14-8-9-24-11-14)21-19-17-15-4-2-3-5-16(15)26-20(17)23-18(22-19)13-6-7-13/h12-14H,2-11H2,1H3,(H,21,22,23)
InChIKeyHUXILTPRVRVXDK-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.05
Rot. Bonds6

About 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 133348442) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID133348442
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC(COC1CCOC1)Nc1nc(C2CC2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C20H27N3O2S/c1-12(10-25-14-8-9-24-11-14)21-19-17-15-4-2-3-5-16(15)26-20(17)23-18(22-19)13-6-7-13/h12-14H,2-11H2,1H3,(H,21,22,23)
InChIKeyHUXILTPRVRVXDK-UHFFFAOYSA-N
XLogP4.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(oxan-4-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 65334670
(10-cyclopropyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 62252703
[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 65334127
N-methyl-10-(4-methylcyclohexyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63487286
(2-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 62251771
2-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133287208
N-[(2S)-1-methoxypropan-2-yl]-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9311367
2-cyclopropyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 52897218
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55038211
N-methyl-2-(thian-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 80630916
3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene
CID 24712197

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 133348442) is 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CC(COC1CCOC1)Nc1nc(C2CC2)nc2sc3c(c12)CCCC3.
What is the InChIKey of 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HUXILTPRVRVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-12(10-25-14-8-9-24-11-14)21-19-17-15-4-2-3-5-16(15)26-20(17)23-18(22-19)13-6-7-13/h12-14H,2-11H2,1H3,(H,21,22,23).
What are the key properties of 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 373.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133348442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).