7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine

C19H20Cl2N6 — CID 134211496

IUPAC7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNCC[C@H]1CCN(c2nc3nc(N)ncc3cc2-c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-9-24-19(23)26-17(12)25-18(13)27-7-5-11(10-27)4-6-22/h1-3,8-9,11H,4-7,10,22H2,(H2,23,24,25,26)/t11-/m0/s1
InChIKeyWGVWYJZKJRWFAD-NSHDSACASA-N
MW403.32 g/mol
LogP3.76
Rot. Bonds4

About 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine

7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 134211496) has the molecular formula C19H20Cl2N6 and a molecular weight of 403.32 g/mol. Its IUPAC name is 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID134211496
Molecular FormulaC19H20Cl2N6
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
SMILESNCC[C@H]1CCN(c2nc3nc(N)ncc3cc2-c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-9-24-19(23)26-17(12)25-18(13)27-7-5-11(10-27)4-6-22/h1-3,8-9,11H,4-7,10,22H2,(H2,23,24,25,26)/t11-/m0/s1
InChIKeyWGVWYJZKJRWFAD-NSHDSACASA-N
XLogP3.76
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine 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

7-[(3S)-3-(aminomethyl)-3-fluoropyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
CID 134211344
7-[(3S)-3-aminopyrrolidin-1-yl]-6-naphthalen-1-ylpyrido[2,3-d]pyrimidin-2-amine
CID 134211362
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 22380438
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 137334359
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
2-(1-quinazolin-2-ylpiperidin-4-yl)ethanamine
CID 114789468
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine (CID 134211496) is 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine is NCC[C@H]1CCN(c2nc3nc(N)ncc3cc2-c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is WGVWYJZKJRWFAD-NSHDSACASA-N. The full InChI is InChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-9-24-19(23)26-17(12)25-18(13)27-7-5-11(10-27)4-6-22/h1-3,8-9,11H,4-7,10,22H2,(H2,23,24,25,26)/t11-/m0/s1.
What are the key properties of 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine?
7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 403.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-(2-aminoethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 134211496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).