4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

C13H10FN5 — CID 5328069

IUPAC4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(F)c3)c2cn1
InChIInChI=1S/C13H10FN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeyQFPOOGRVHSRBMK-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.49
Rot. Bonds2

About 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328069) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328069
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc(F)c3)c2cn1
InChIInChI=1S/C13H10FN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeyQFPOOGRVHSRBMK-UHFFFAOYSA-N
XLogP2.49
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
6-Aminoquinazoline
CID 589288
Spautin-1
CID 51037431
Ngd-8243
CID 11247522
Pd 158780
CID 4707
Amprolium ion
CID 2178
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
Quinazolin-7-amine
CID 16663769
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328069) is 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(Nc3cccc(F)c3)c2cn1.
What is the InChIKey of 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is QFPOOGRVHSRBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19).
What are the key properties of 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 255.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).