5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine

C17H16FN5 — CID 25232737

IUPAC5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccc(F)cc3)c3c(nc2n1)CCCC3
InChIInChI=1S/C17H16FN5/c18-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)21-16-14(13)15(19)22-17(20)23-16/h5-8H,1-4H2,(H4,19,20,21,22,23)
InChIKeyUJGWVHWVYNXFDC-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.87
Rot. Bonds1

About 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine

5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine (PubChem CID 25232737) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine
PubChem CID25232737
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccc(F)cc3)c3c(nc2n1)CCCC3
InChIInChI=1S/C17H16FN5/c18-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)21-16-14(13)15(19)22-17(20)23-16/h5-8H,1-4H2,(H4,19,20,21,22,23)
InChIKeyUJGWVHWVYNXFDC-UHFFFAOYSA-N
XLogP2.87
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2,4-diamino-5-phenyl-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
CID 17198451
5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
CID 25233089
5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
CID 141176295
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1315700
7,8,9,10-tetrahydrobenzo[f]quinazoline-1,3-diamine
CID 19776218
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
4-(4-fluorophenyl)-3-(propan-2-ylideneamino)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 110193577
2-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 64767789
2,4-diamino-5-(2,4-dichlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b]quinolin-6-one
CID 16653247
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 14113240
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203690

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine?
The IUPAC name of 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine (CID 25232737) is 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine is Nc1nc(N)c2c(-c3ccc(F)cc3)c3c(nc2n1)CCCC3.
What is the InChIKey of 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine?
The InChIKey is UJGWVHWVYNXFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c18-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)21-16-14(13)15(19)22-17(20)23-16/h5-8H,1-4H2,(H4,19,20,21,22,23).
What are the key properties of 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine?
5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine has a molecular weight of 309.35 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine is sourced from PubChem (CID 25232737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).