6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine

C18H19FN4O — CID 146197361

IUPAC6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
InChIInChI=1S/C18H19FN4O/c1-4-24-17-9-15-16(10-20-17)22-12(3)23-18(15)21-11(2)13-5-7-14(19)8-6-13/h5-11H,4H2,1-3H3,(H,21,22,23)/t11-/m1/s1
InChIKeyKHAYGPSTXVIRRL-LLVKDONJSA-N
MW326.38 g/mol
LogP4.04
Rot. Bonds5

About 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine

6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197361) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197361
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
InChIInChI=1S/C18H19FN4O/c1-4-24-17-9-15-16(10-20-17)22-12(3)23-18(15)21-11(2)13-5-7-14(19)8-6-13/h5-11H,4H2,1-3H3,(H,21,22,23)/t11-/m1/s1
InChIKeyKHAYGPSTXVIRRL-LLVKDONJSA-N
XLogP4.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 146197361) is 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine is CCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1.
What is the InChIKey of 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KHAYGPSTXVIRRL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-4-24-17-9-15-16(10-20-17)22-12(3)23-18(15)21-11(2)13-5-7-14(19)8-6-13/h5-11H,4H2,1-3H3,(H,21,22,23)/t11-/m1/s1.
What are the key properties of 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 326.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).