7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine

C21H20N6 — CID 134211362

IUPAC7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2cc(-c3cccc4ccccc34)c(N3CC[C@H](N)C3)nc2n1
InChIInChI=1S/C21H20N6/c22-15-8-9-27(12-15)20-18(10-14-11-24-21(23)26-19(14)25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,10-11,15H,8-9,12,22H2,(H2,23,24,25,26)/t15-/m0/s1
InChIKeyLGFLKSRFTIOLSI-HNNXBMFYSA-N
MW356.43 g/mol
LogP2.96
Rot. Bonds2

About 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine

7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine (PubChem CID 134211362) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine
PubChem CID134211362
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine
SMILESNc1ncc2cc(-c3cccc4ccccc34)c(N3CC[C@H](N)C3)nc2n1
InChIInChI=1S/C21H20N6/c22-15-8-9-27(12-15)20-18(10-14-11-24-21(23)26-19(14)25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,10-11,15H,8-9,12,22H2,(H2,23,24,25,26)/t15-/m0/s1
InChIKeyLGFLKSRFTIOLSI-HNNXBMFYSA-N
XLogP2.96
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
CID 134211496
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 134211397
1-(1-methylindazol-3-yl)pyrrolidin-3-amine
CID 83835920
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
CID 71643811
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-4-amine
CID 67302144
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
pyrimido[4,5-b]quinolin-2-amine
CID 10987174
6-[(3S)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),3,5,13,15-hexaen-4-amine
CID 67301773
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine (CID 134211362) is 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine is Nc1ncc2cc(-c3cccc4ccccc34)c(N3CC[C@H](N)C3)nc2n1.
What is the InChIKey of 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is LGFLKSRFTIOLSI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N6/c22-15-8-9-27(12-15)20-18(10-14-11-24-21(23)26-19(14)25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,10-11,15H,8-9,12,22H2,(H2,23,24,25,26)/t15-/m0/s1.
What are the key properties of 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine?
7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134211362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).