1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C19H31N5O2 — CID 95552450

IUPAC1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCC[C@H]2CCCO2)C1
InChIInChI=1S/C19H31N5O2/c1-14(25)24-11-9-16-17(13-24)20-19(22(2)3)21-18(16)23(4)10-5-7-15-8-6-12-26-15/h15H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyPSNMUFBLDHROLG-HNNXBMFYSA-N
MW361.49 g/mol
LogP1.84
Rot. Bonds6

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

1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 95552450) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID95552450
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCC[C@H]2CCCO2)C1
InChIInChI=1S/C19H31N5O2/c1-14(25)24-11-9-16-17(13-24)20-19(22(2)3)21-18(16)23(4)10-5-7-15-8-6-12-26-15/h15H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyPSNMUFBLDHROLG-HNNXBMFYSA-N
XLogP1.84
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461
1-[2-(dimethylamino)-4-[methyl(3,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56861915
1-[4-(cycloheptylamino)-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70711655
(2R)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-morpholin-4-ylbutan-1-one
CID 95559807
1-[2-(dimethylamino)-4-[3-(3-hydroxypiperidin-1-yl)propylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70755588
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 118778160
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56874495
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 125154757
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 56874672
2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-6-methylpyran-4-one
CID 118787331
1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70756958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 95552450) is 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCC[C@H]2CCCO2)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is PSNMUFBLDHROLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(25)24-11-9-16-17(13-24)20-19(22(2)3)21-18(16)23(4)10-5-7-15-8-6-12-26-15/h15H,5-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 361.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[methyl-[3-[(2S)-oxolan-2-yl]propyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 95552450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).