N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C20H25N4OS2+ — CID 9031121

IUPACN-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(C[NH+]2CCOCC2)nc2scc(-c3cccs3)c12)C1CC1
InChIInChI=1S/C20H24N4OS2/c1-13(14-4-5-14)21-19-18-15(16-3-2-10-26-16)12-27-20(18)23-17(22-19)11-24-6-8-25-9-7-24/h2-3,10,12-14H,4-9,11H2,1H3,(H,21,22,23)/p+1/t13-/m0/s1
InChIKeyMGGUEKRSDITIAZ-ZDUSSCGKSA-O
MW401.58 g/mol
LogP3.05
Rot. Bonds6

About N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9031121) has the molecular formula C20H25N4OS2+ and a molecular weight of 401.58 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9031121
Molecular FormulaC20H25N4OS2+
Molecular Weight401.58 g/mol
Exact Mass401.15
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESC[C@H](Nc1nc(C[NH+]2CCOCC2)nc2scc(-c3cccs3)c12)C1CC1
InChIInChI=1S/C20H24N4OS2/c1-13(14-4-5-14)21-19-18-15(16-3-2-10-26-16)12-27-20(18)23-17(22-19)11-24-6-8-25-9-7-24/h2-3,10,12-14H,4-9,11H2,1H3,(H,21,22,23)/p+1/t13-/m0/s1
InChIKeyMGGUEKRSDITIAZ-ZDUSSCGKSA-O
XLogP3.05
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2533977
4-[(4-phenoxy-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-4-ium
CID 9213381
2-(morpholin-4-ylmethyl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 52910038
4-[[5-phenyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 2577387
(7R)-7-methyl-2-(morpholin-4-ium-4-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9111864
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 31657857
2-(morpholin-4-ylmethyl)-N-(oxan-2-yloxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 47091036
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245466
4-[2-[[2-(morpholin-4-ium-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 2099789
N-(4-fluorophenyl)-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9212139

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 9031121) is N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is C[C@H](Nc1nc(C[NH+]2CCOCC2)nc2scc(-c3cccs3)c12)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MGGUEKRSDITIAZ-ZDUSSCGKSA-O. The full InChI is InChI=1S/C20H24N4OS2/c1-13(14-4-5-14)21-19-18-15(16-3-2-10-26-16)12-27-20(18)23-17(22-19)11-24-6-8-25-9-7-24/h2-3,10,12-14H,4-9,11H2,1H3,(H,21,22,23)/p+1/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 401.58 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9031121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).