4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile

C19H19N5O — CID 146197383

IUPAC4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile
SMILESCCOc1cc2c(N[C@H](C)c3ccc(C#N)cc3)nc(C)nc2cn1
InChIInChI=1S/C19H19N5O/c1-4-25-18-9-16-17(11-21-18)23-13(3)24-19(16)22-12(2)15-7-5-14(10-20)6-8-15/h5-9,11-12H,4H2,1-3H3,(H,22,23,24)/t12-/m1/s1
InChIKeyXKDXJFALGWEQHS-GFCCVEGCSA-N
MW333.40 g/mol
LogP3.78
Rot. Bonds5

About 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile

4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile (PubChem CID 146197383) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile
PubChem CID146197383
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile
SMILESCCOc1cc2c(N[C@H](C)c3ccc(C#N)cc3)nc(C)nc2cn1
InChIInChI=1S/C19H19N5O/c1-4-25-18-9-16-17(11-21-18)23-13(3)24-19(16)22-12(2)15-7-5-14(10-20)6-8-15/h5-9,11-12H,4H2,1-3H3,(H,22,23,24)/t12-/m1/s1
InChIKeyXKDXJFALGWEQHS-GFCCVEGCSA-N
XLogP3.78
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile with MolForge

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197424
N-[(1R)-1-(3-bromophenyl)ethyl]-6-[3-(dimethylamino)propoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197349
N-[1-(1H-indazol-4-yl)ethyl]-6-methoxy-2-methylpyrido[3,4-d]pyrimidin-4-amine;methane
CID 167652006
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
4-[1-[(3,5,6-trifluoro-2-pyridinyl)amino]ethyl]benzonitrile
CID 106192772
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylquinazoline-6,7-diol;methane
CID 167597464
4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
CID 133310735
4-[1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]ethyl]benzonitrile
CID 103745818
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile (CID 146197383) is 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile is CCOc1cc2c(N[C@H](C)c3ccc(C#N)cc3)nc(C)nc2cn1.
What is the InChIKey of 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile?
The InChIKey is XKDXJFALGWEQHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N5O/c1-4-25-18-9-16-17(11-21-18)23-13(3)24-19(16)22-12(2)15-7-5-14(10-20)6-8-15/h5-9,11-12H,4H2,1-3H3,(H,22,23,24)/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile?
4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile has a molecular weight of 333.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[(6-ethoxy-2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 146197383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).