6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

C19H21ClFN5 — CID 122602546

IUPAC6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2ccc(-c3cc(F)cc(CNC4CCCC4)c3)nc12
InChIInChI=1S/C19H20FN5.ClH/c20-14-8-12(10-22-15-3-1-2-4-15)7-13(9-14)16-5-6-17-18(25-16)19(21)24-11-23-17;/h5-9,11,15,22H,1-4,10H2,(H2,21,23,24);1H
InChIKeyLTKFLBPYJWWOFM-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.87
Rot. Bonds4

About 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride

6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 122602546) has the molecular formula C19H21ClFN5 and a molecular weight of 373.86 g/mol. Its IUPAC name is 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID122602546
Molecular FormulaC19H21ClFN5
Molecular Weight373.86 g/mol
Exact Mass373.15
IUPAC Name6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2ccc(-c3cc(F)cc(CNC4CCCC4)c3)nc12
InChIInChI=1S/C19H20FN5.ClH/c20-14-8-12(10-22-15-3-1-2-4-15)7-13(9-14)16-5-6-17-18(25-16)19(21)24-11-23-17;/h5-9,11,15,22H,1-4,10H2,(H2,21,23,24);1H
InChIKeyLTKFLBPYJWWOFM-UHFFFAOYSA-N
XLogP3.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride 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

6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017363
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054806
6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 122602509
6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055141
6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 72705104
1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide
CID 90054899
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methylamino]propan-1-ol;6-[3-fluoro-5-[(2-methylpropylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 172841370
6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 90054705
1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one
CID 157169843
4-amino-6-[3-fluoro-5-[1-piperidin-1-yl-2-(sulfinoamino)ethyl]phenyl]pyrido[3,2-d]pyrimidine
CID 146500916
1-[4-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperazin-1-yl]-2-methylpropan-1-one;6-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 157237091
N-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 141388856

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride (CID 122602546) is 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2ccc(-c3cc(F)cc(CNC4CCCC4)c3)nc12.
What is the InChIKey of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is LTKFLBPYJWWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5.ClH/c20-14-8-12(10-22-15-3-1-2-4-15)7-13(9-14)16-5-6-17-18(25-16)19(21)24-11-23-17;/h5-9,11,15,22H,1-4,10H2,(H2,21,23,24);1H.
What are the key properties of 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride?
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 122602546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).