6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine

C18H18FN5 — CID 122602509

IUPAC6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1)C1CC1
InChIInChI=1S/C18H18FN5/c1-24(14-2-3-14)9-11-6-12(8-13(19)7-11)15-4-5-16-17(23-15)18(20)22-10-21-16/h4-8,10,14H,2-3,9H2,1H3,(H2,20,21,22)
InChIKeyPDRYEUYFPUTRMZ-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.01
Rot. Bonds4

About 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 122602509) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID122602509
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1)C1CC1
InChIInChI=1S/C18H18FN5/c1-24(14-2-3-14)9-11-6-12(8-13(19)7-11)15-4-5-16-17(23-15)18(20)22-10-21-16/h4-8,10,14H,2-3,9H2,1H3,(H2,20,21,22)
InChIKeyPDRYEUYFPUTRMZ-UHFFFAOYSA-N
XLogP3.01
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-fluoro-5-[[methyl-(1-methylpiperidin-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 122602474
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017363
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 122602546
6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 90054705
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054806
1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide
CID 90054899
6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055141
1-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]propan-1-one
CID 157169843
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
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
6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 72705104
(3S)-1-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 141388859

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 122602509) is 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine is CN(Cc1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1)C1CC1.
What is the InChIKey of 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is PDRYEUYFPUTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-24(14-2-3-14)9-11-6-12(8-13(19)7-11)15-4-5-16-17(23-15)18(20)22-10-21-16/h4-8,10,14H,2-3,9H2,1H3,(H2,20,21,22).
What are the key properties of 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 323.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122602509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).