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

C19H21FN4O2 — CID 146197393

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
InChIInChI=1S/C19H21FN4O2/c1-12(14-4-6-15(20)7-5-14)22-19-16-10-18(26-9-8-25-3)21-11-17(16)23-13(2)24-19/h4-7,10-12H,8-9H2,1-3H3,(H,22,23,24)/t12-/m1/s1
InChIKeyACSJDJRSMKAIAD-GFCCVEGCSA-N
MW356.40 g/mol
LogP3.67
Rot. Bonds7

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197393) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197393
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1
InChIInChI=1S/C19H21FN4O2/c1-12(14-4-6-15(20)7-5-14)22-19-16-10-18(26-9-8-25-3)21-11-17(16)23-13(2)24-19/h4-7,10-12H,8-9H2,1-3H3,(H,22,23,24)/t12-/m1/s1
InChIKeyACSJDJRSMKAIAD-GFCCVEGCSA-N
XLogP3.67
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 146197393) is N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine is COCCOc1cc2c(N[C@H](C)c3ccc(F)cc3)nc(C)nc2cn1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ACSJDJRSMKAIAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12(14-4-6-15(20)7-5-14)22-19-16-10-18(26-9-8-25-3)21-11-17(16)23-13(2)24-19/h4-7,10-12H,8-9H2,1-3H3,(H,22,23,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 356.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).