6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C18H24FN5 — CID 19883229

IUPAC6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN(C)CCCN1CCc2nc(N)nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C18H24FN5/c1-23(2)9-3-10-24-11-8-16-15(12-24)17(22-18(20)21-16)13-4-6-14(19)7-5-13/h4-7H,3,8-12H2,1-2H3,(H2,20,21,22)
InChIKeyYMTNXVCKEYSMCS-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.17
Rot. Bonds5

About 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 19883229) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID19883229
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN(C)CCCN1CCc2nc(N)nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C18H24FN5/c1-23(2)9-3-10-24-11-8-16-15(12-24)17(22-18(20)21-16)13-4-6-14(19)7-5-13/h4-7H,3,8-12H2,1-2H3,(H2,20,21,22)
InChIKeyYMTNXVCKEYSMCS-UHFFFAOYSA-N
XLogP2.17
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylamino)propyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine;dihydrochloride
CID 82022556
4-(4-chlorophenyl)-2-ethyl-6-(3-methylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134795073
1-[4-(4-fluorophenyl)-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 66616333
1-(2-amino-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;hydrate
CID 19883212
2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807
3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
CID 23623279
6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
CID 50952803
2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946793
2-amino-6-[(2-fluoro-3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917773
N'-[6-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 95801068
1-(4-fluorophenyl)-4-[10-(4-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]butan-1-one
CID 122174317
4-tert-butyl-6-[4-[3-(dimethylamino)propyl]piperazin-1-yl]pyrimidin-2-amine
CID 67301765

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 19883229) is 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is CN(C)CCCN1CCc2nc(N)nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is YMTNXVCKEYSMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-23(2)9-3-10-24-11-8-16-15(12-24)17(22-18(20)21-16)13-4-6-14(19)7-5-13/h4-7H,3,8-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 329.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-4-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 19883229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).