6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine

C18H20N4O — CID 146197447

IUPAC6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(N[C@H](C)c3ccccc3)nc(C)nc2cn1
InChIInChI=1S/C18H20N4O/c1-4-23-17-10-15-16(11-19-17)21-13(3)22-18(15)20-12(2)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,20,21,22)/t12-/m1/s1
InChIKeyQNSLJMIHABCZLJ-GFCCVEGCSA-N
MW308.39 g/mol
LogP3.91
Rot. Bonds5

About 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine

6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 146197447) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID146197447
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCCOc1cc2c(N[C@H](C)c3ccccc3)nc(C)nc2cn1
InChIInChI=1S/C18H20N4O/c1-4-23-17-10-15-16(11-19-17)21-13(3)22-18(15)20-12(2)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,20,21,22)/t12-/m1/s1
InChIKeyQNSLJMIHABCZLJ-GFCCVEGCSA-N
XLogP3.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine (CID 146197447) is 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine is CCOc1cc2c(N[C@H](C)c3ccccc3)nc(C)nc2cn1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is QNSLJMIHABCZLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-23-17-10-15-16(11-19-17)21-13(3)22-18(15)20-12(2)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,20,21,22)/t12-/m1/s1.
What are the key properties of 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine?
6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[(1R)-1-phenylethyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146197447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).