1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C19H25N5O2 — CID 95528068

IUPAC1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC[C@@H](COC)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H25N5O2/c1-4-15(12-26-3)21-19-16-7-10-24(13(2)25)11-17(16)22-18(23-19)14-5-8-20-9-6-14/h5-6,8-9,15H,4,7,10-12H2,1-3H3,(H,21,22,23)/t15-/m0/s1
InChIKeyONSJOPZUMOWVKZ-HNNXBMFYSA-N
MW355.44 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 95528068) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID95528068
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC[C@@H](COC)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H25N5O2/c1-4-15(12-26-3)21-19-16-7-10-24(13(2)25)11-17(16)22-18(23-19)14-5-8-20-9-6-14/h5-6,8-9,15H,4,7,10-12H2,1-3H3,(H,21,22,23)/t15-/m0/s1
InChIKeyONSJOPZUMOWVKZ-HNNXBMFYSA-N
XLogP2.28
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[(2S)-2-hydroxybutyl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95551557
1-[4-[[(2R)-1-(dimethylamino)butan-2-yl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95557334
1-[4-[[(2S)-2,3-dihydroxypropyl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95558673
1-[4-(2,3-dihydroxypropylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56879379
1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56747712
(2R)-2-[(7-acetyl-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 56875797
1-[2-pyridin-3-yl-4-(1-pyridin-3-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56879894
1-[4-[[(1R)-1-phenylethyl]amino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95713430
(2S)-1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-hydroxybutan-1-one
CID 95729961
1-[4-[[(2R)-2,3-dihydroxypropyl]-methylamino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95476545
1-[4-[(3S)-3-methoxypiperidin-1-yl]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95554235
1-[4-(hexylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56874581

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 95528068) is 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC[C@@H](COC)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is ONSJOPZUMOWVKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-15(12-26-3)21-19-16-7-10-24(13(2)25)11-17(16)22-18(23-19)14-5-8-20-9-6-14/h5-6,8-9,15H,4,7,10-12H2,1-3H3,(H,21,22,23)/t15-/m0/s1.
What are the key properties of 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S)-1-methoxybutan-2-yl]amino]-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 95528068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).