[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone

C19H21ClN4O2 — CID 151676824

About [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone

[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone (PubChem CID 151676824) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
• PubChem CID: 151676824
• Molecular Formula: C19H21ClN4O2
• Molecular Weight: 372.86 g/mol
• Exact Mass: 372.14
• IUPAC Name: [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
• SMILES: COC[C@@H]1CCN1C(=O)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1
• InChI: InChI=1S/C19H21ClN4O2/c1-26-11-17-4-5-24(17)18(25)14-9-21-19(22-10-14)23-16-7-12-2-3-15(20)6-13(12)8-16/h2-3,6,9-10,16-17H,4-5,7-8,11H2,1H3,(H,21,22,23)/t16?,17-/m0/s1
• InChIKey: QZRSQBMTLKAPIG-DJNXLDHESA-N
• XLogP: 2.57
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.86
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?

The IUPAC name of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone (CID 151676824) is [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone.

What is the SMILES notation for [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?

The canonical SMILES for [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone is COC[C@@H]1CCN1C(=O)c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1.

What is the InChIKey of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?

The InChIKey is QZRSQBMTLKAPIG-DJNXLDHESA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-26-11-17-4-5-24(17)18(25)14-9-21-19(22-10-14)23-16-7-12-2-3-15(20)6-13(12)8-16/h2-3,6,9-10,16-17H,4-5,7-8,11H2,1H3,(H,21,22,23)/t16?,17-/m0/s1.

What are the key properties of [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone?

[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone has a molecular weight of 372.86 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 151676824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).