[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

C20H25N5O2 — CID 95551667

IUPAC[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2c(ncnc2NCC[C@@H]2CCCOC2)C1
InChIInChI=1S/C20H25N5O2/c26-20(16-4-1-7-21-11-16)25-9-6-17-18(12-25)23-14-24-19(17)22-8-5-15-3-2-10-27-13-15/h1,4,7,11,14-15H,2-3,5-6,8-10,12-13H2,(H,22,23,24)/t15-/m0/s1
InChIKeyXGHMYSQNWOJMHE-HNNXBMFYSA-N
MW367.45 g/mol
LogP2.30
Rot. Bonds5

About [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (PubChem CID 95551667) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
PubChem CID95551667
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2c(ncnc2NCC[C@@H]2CCCOC2)C1
InChIInChI=1S/C20H25N5O2/c26-20(16-4-1-7-21-11-16)25-9-6-17-18(12-25)23-14-24-19(17)22-8-5-15-3-2-10-27-13-15/h1,4,7,11,14-15H,2-3,5-6,8-10,12-13H2,(H,22,23,24)/t15-/m0/s1
InChIKeyXGHMYSQNWOJMHE-HNNXBMFYSA-N
XLogP2.30
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56868340
[4-(2-propylsulfanylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56917422
[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 95545373
cyclopropyl-[4-(2-morpholin-4-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56876629
morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 122568453
1,2-oxazol-3-yl-[4-(pyridin-3-ylmethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 56903682
1-[4-(2-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2-pyridin-3-ylpiperidin-1-yl)ethanone
CID 59160300
pyridin-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848103
1-[4-[2-[(2R)-1-methylpyrrolidin-2-yl]ethylamino]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95527592
[(6R)-6-[[6-(methylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-3-ylmethanone
CID 124972965
[4-[[2-hydroxy-2-(3-tricyclo[3.3.1.03,7]nonanyl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-phenylmethanone
CID 143422483
cyclopropyl-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56878120

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (CID 95551667) is [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2c(ncnc2NCC[C@@H]2CCCOC2)C1.
What is the InChIKey of [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The InChIKey is XGHMYSQNWOJMHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(16-4-1-7-21-11-16)25-9-6-17-18(12-25)23-14-24-19(17)22-8-5-15-3-2-10-27-13-15/h1,4,7,11,14-15H,2-3,5-6,8-10,12-13H2,(H,22,23,24)/t15-/m0/s1.
What are the key properties of [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95551667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).