N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C18H20N4OS — CID 171355051

IUPACN-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)sc1ncnc(NC[C@H]3CN(C4CC4)CCO3)c12
InChIInChI=1S/C18H20N4OS/c1-2-4-15-14(3-1)16-17(20-11-21-18(16)24-15)19-9-13-10-22(7-8-23-13)12-5-6-12/h1-4,11-13H,5-10H2,(H,19,20,21)/t13-/m0/s1
InChIKeyGMIKJTNOLKWHIN-ZDUSSCGKSA-N
MW340.45 g/mol
LogP3.12
Rot. Bonds4

About N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 171355051) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID171355051
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)sc1ncnc(NC[C@H]3CN(C4CC4)CCO3)c12
InChIInChI=1S/C18H20N4OS/c1-2-4-15-14(3-1)16-17(20-11-21-18(16)24-15)19-9-13-10-22(7-8-23-13)12-5-6-12/h1-4,11-13H,5-10H2,(H,19,20,21)/t13-/m0/s1
InChIKeyGMIKJTNOLKWHIN-ZDUSSCGKSA-N
XLogP3.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 171355051) is N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine is c1ccc2c(c1)sc1ncnc(NC[C@H]3CN(C4CC4)CCO3)c12.
What is the InChIKey of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GMIKJTNOLKWHIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-4-15-14(3-1)16-17(20-11-21-18(16)24-15)19-9-13-10-22(7-8-23-13)12-5-6-12/h1-4,11-13H,5-10H2,(H,19,20,21)/t13-/m0/s1.
What are the key properties of N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171355051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).