6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine

C18H20FN5 — CID 69095647

IUPAC6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H20FN5/c1-2-3-4-11-21-17-16-15(23-18(20)24-17)10-9-14(22-16)12-5-7-13(19)8-6-12/h5-10H,2-4,11H2,1H3,(H3,20,21,23,24)
InChIKeyAJGZGSVIRMFSEK-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.02
Rot. Bonds6

About 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine

6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 69095647) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID69095647
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C18H20FN5/c1-2-3-4-11-21-17-16-15(23-18(20)24-17)10-9-14(22-16)12-5-7-13(19)8-6-12/h5-10H,2-4,11H2,1H3,(H3,20,21,23,24)
InChIKeyAJGZGSVIRMFSEK-UHFFFAOYSA-N
XLogP4.02
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048
6-(4-fluorophenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 24963520
4-N-butyl-6-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 166630057
4-N-butyl-6-(1-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 147103146
6-(4-fluorophenyl)-4-(2-methylpropyl)pyrido[3,2-d]pyrimidin-2-amine
CID 24963875
4-[2-amino-4-(3-methoxypropylamino)pyrido[3,2-d]pyrimidin-6-yl]-N-cyclopropylbenzamide
CID 66810336
6-[[4-(aminomethyl)phenyl]methyl]-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 149046473
methyl N-[4-[2-amino-4-(2-ethoxyethylamino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]carbamate
CID 66810251
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 59199210
4-[(E)-but-2-enoxy]-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
CID 24962765
(4R)-4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]oxypentan-2-ol
CID 71081804
6-(4-fluorophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 68913112

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 69095647) is 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine is CCCCCNc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is AJGZGSVIRMFSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-2-3-4-11-21-17-16-15(23-18(20)24-17)10-9-14(22-16)12-5-7-13(19)8-6-12/h5-10H,2-4,11H2,1H3,(H3,20,21,23,24).
What are the key properties of 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine?
6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 325.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-N-pentylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 69095647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).