(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid

C19H18N4O2 — CID 68726312

IUPAC(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](Nc2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C19H18N4O2/c24-19(25)23-10-8-16(12-23)21-18-20-9-7-17(22-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,9,11,16H,8,10,12H2,(H,24,25)(H,20,21,22)/t16-/m0/s1
InChIKeyFSCZYISPDPURKW-INIZCTEOSA-N
MW334.38 g/mol
LogP3.46
Rot. Bonds3

About (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid

(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 68726312) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID68726312
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](Nc2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C19H18N4O2/c24-19(25)23-10-8-16(12-23)21-18-20-9-7-17(22-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,9,11,16H,8,10,12H2,(H,24,25)(H,20,21,22)/t16-/m0/s1
InChIKeyFSCZYISPDPURKW-INIZCTEOSA-N
XLogP3.46
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68727791
7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 142764791
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
4-[(3-amino-4-naphthalen-2-yl-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 68729145
tert-butyl (3S)-3-[[(4-naphthalen-2-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 91180125
3-[[4-(3-chloropyridazin-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 175135859
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 66552003
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
2-[3-[2-[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]pyrimidin-4-yl]-2-naphthalen-2-ylimidazol-4-yl]acetic acid
CID 146310030
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)azetidin-3-yl]ethylcarbamic acid
CID 69077782
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
cyclopropyl-[(3R)-3-[[4-(6-hydroxy-2-naphthalen-2-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 71584212

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (CID 68726312) is (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@H](Nc2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is FSCZYISPDPURKW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(25)23-10-8-16(12-23)21-18-20-9-7-17(22-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,9,11,16H,8,10,12H2,(H,24,25)(H,20,21,22)/t16-/m0/s1.
What are the key properties of (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68726312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).