(2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol

C16H20N4OS — CID 175506447

IUPAC(2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
SMILESC[C@@H]1C(O)CN1c1nc2c(c(-c3ccc(CN)s3)n1)CCC2
InChIInChI=1S/C16H20N4OS/c1-9-13(21)8-20(9)16-18-12-4-2-3-11(12)15(19-16)14-6-5-10(7-17)22-14/h5-6,9,13,21H,2-4,7-8,17H2,1H3/t9-,13?/m1/s1
InChIKeyZDAPXKVLDMMNNM-CGCSKFHYSA-N
MW316.43 g/mol
LogP1.72
Rot. Bonds3

About (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol

(2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol (PubChem CID 175506447) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol.

Molecular Properties

Compound Name(2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
PubChem CID175506447
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
SMILESC[C@@H]1C(O)CN1c1nc2c(c(-c3ccc(CN)s3)n1)CCC2
InChIInChI=1S/C16H20N4OS/c1-9-13(21)8-20(9)16-18-12-4-2-3-11(12)15(19-16)14-6-5-10(7-17)22-14/h5-6,9,13,21H,2-4,7-8,17H2,1H3/t9-,13?/m1/s1
InChIKeyZDAPXKVLDMMNNM-CGCSKFHYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

[4-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396594
N-[[4-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide
CID 165396275
(2S,3R)-1-[4-[4-(1H-imidazol-2-yl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol
CID 165396074
N-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]acetamide
CID 165397469
2-[3-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclopropane-1-carboxylic acid
CID 165396127
7-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,1-dioxo-2,3-dihydro-1λ6,3-benzothiazin-4-one
CID 165397368
5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridin-2-amine
CID 165396801
4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 171059174
4-[2-[(2S)-3-fluoro-2-(2-methylpropyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 165397266
[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine
CID 103386678
2-[3-[2-[(2S,3R)-3-fluoro-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]cyclopropane-1-carboxylic acid
CID 165396807

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?
The IUPAC name of (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol (CID 175506447) is (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol.
What is the SMILES notation for (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?
The canonical SMILES for (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol is C[C@@H]1C(O)CN1c1nc2c(c(-c3ccc(CN)s3)n1)CCC2.
What is the InChIKey of (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?
The InChIKey is ZDAPXKVLDMMNNM-CGCSKFHYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-9-13(21)8-20(9)16-18-12-4-2-3-11(12)15(19-16)14-6-5-10(7-17)22-14/h5-6,9,13,21H,2-4,7-8,17H2,1H3/t9-,13?/m1/s1.
What are the key properties of (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol?
(2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol has a molecular weight of 316.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[5-(aminomethyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2-methylazetidin-3-ol is sourced from PubChem (CID 175506447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).