6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine

C18H18ClN3O2S2 — CID 133344290

IUPAC6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCS(=O)(=O)CC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1
InChIInChI=1S/C18H18ClN3O2S2/c1-26(23,24)10-18(6-7-18)9-20-17-16-14(21-11-22-17)8-15(25-16)12-2-4-13(19)5-3-12/h2-5,8,11H,6-7,9-10H2,1H3,(H,20,21,22)
InChIKeyZYLXQZWLDAPNOO-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.25
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine

6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 133344290) has the molecular formula C18H18ClN3O2S2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID133344290
Molecular FormulaC18H18ClN3O2S2
Molecular Weight407.95 g/mol
Exact Mass407.05
IUPAC Name6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCS(=O)(=O)CC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1
InChIInChI=1S/C18H18ClN3O2S2/c1-26(23,24)10-18(6-7-18)9-20-17-16-14(21-11-22-17)8-15(25-16)12-2-4-13(19)5-3-12/h2-5,8,11H,6-7,9-10H2,1H3,(H,20,21,22)
InChIKeyZYLXQZWLDAPNOO-UHFFFAOYSA-N
XLogP4.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 133299493
6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133400003
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinazolin-4-amine
CID 133344209
[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
CID 16776537
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 9104532
2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-N-prop-2-ynylacetamide
CID 133278091
6-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 167950243
N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4782307
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133344205
6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 133293089
6-(4-chlorophenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 97001140
6-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 41176660

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 133344290) is 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine is CS(=O)(=O)CC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZYLXQZWLDAPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S2/c1-26(23,24)10-18(6-7-18)9-20-17-16-14(21-11-22-17)8-15(25-16)12-2-4-13(19)5-3-12/h2-5,8,11H,6-7,9-10H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 407.95 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 133344290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).