6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine

C17H17FN4O3 — CID 110172114

IUPAC6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(OCCF)c3n2)cc1OC
InChIInChI=1S/C17H17FN4O3/c1-23-13-6-3-10(9-14(13)24-2)11-4-5-12-15(20-11)16(25-8-7-18)22-17(19)21-12/h3-6,9H,7-8H2,1-2H3,(H2,19,21,22)
InChIKeyFVHJRUPHYHXDOI-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.64
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine

6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 110172114) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID110172114
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)nc(OCCF)c3n2)cc1OC
InChIInChI=1S/C17H17FN4O3/c1-23-13-6-3-10(9-14(13)24-2)11-4-5-12-15(20-11)16(25-8-7-18)22-17(19)21-12/h3-6,9H,7-8H2,1-2H3,(H2,19,21,22)
InChIKeyFVHJRUPHYHXDOI-UHFFFAOYSA-N
XLogP2.64
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine (CID 110172114) is 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine is COc1ccc(-c2ccc3nc(N)nc(OCCF)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is FVHJRUPHYHXDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-23-13-6-3-10(9-14(13)24-2)11-4-5-12-15(20-11)16(25-8-7-18)22-17(19)21-12/h3-6,9H,7-8H2,1-2H3,(H2,19,21,22).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine?
6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 344.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-(2-fluoroethoxy)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 110172114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).