N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine

C17H16FN5O2 — CID 163842257

IUPACN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine
SMILESC=Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12
InChIInChI=1S/C17H16FN5O2/c1-19-16-15-13(6-11(18)9-20-15)22-17(23-16)21-8-10-4-5-12(24-2)7-14(10)25-3/h4-7,9H,1,8H2,2-3H3,(H,21,22,23)
InChIKeyONABXPYKGDSUBD-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.13
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 163842257) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID163842257
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine
SMILESC=Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12
InChIInChI=1S/C17H16FN5O2/c1-19-16-15-13(6-11(18)9-20-15)22-17(23-16)21-8-10-4-5-12(24-2)7-14(10)25-3/h4-7,9H,1,8H2,2-3H3,(H,21,22,23)
InChIKeyONABXPYKGDSUBD-UHFFFAOYSA-N
XLogP3.13
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]hexyl]acetamide
CID 134364468
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
(4R)-4-butyl-2-(3,5-difluoro-2-pyridinyl)-4-methyl-5H-1,3-oxazole;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 167611552
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
N-[(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroquinazolin-4-yl]amino]hexyl]acetamide
CID 134305651
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 122585039

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine (CID 163842257) is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine is C=Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)cnc12.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is ONABXPYKGDSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-19-16-15-13(6-11(18)9-20-15)22-17(23-16)21-8-10-4-5-12(24-2)7-14(10)25-3/h4-7,9H,1,8H2,2-3H3,(H,21,22,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 341.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(methylideneamino)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 163842257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).