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

C16H24N4O3 — CID 125154757

IUPAC1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
SMILESCN(C)c1ncnc2c1CCN(C(=O)COC[C@@H]1CCCO1)C2
InChIInChI=1S/C16H24N4O3/c1-19(2)16-13-5-6-20(8-14(13)17-11-18-16)15(21)10-22-9-12-4-3-7-23-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyBSWIRRGLFRIXFV-LBPRGKRZSA-N
MW320.39 g/mol
LogP0.62
Rot. Bonds5

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

1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone (PubChem CID 125154757) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
PubChem CID125154757
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
SMILESCN(C)c1ncnc2c1CCN(C(=O)COC[C@@H]1CCCO1)C2
InChIInChI=1S/C16H24N4O3/c1-19(2)16-13-5-6-20(8-14(13)17-11-18-16)15(21)10-22-9-12-4-3-7-23-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyBSWIRRGLFRIXFV-LBPRGKRZSA-N
XLogP0.62
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxan-2-ylmethoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72888083
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136696042
[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 95545373
1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92609095
1-[3-(1,3-benzodioxol-5-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95201624
1-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)-2-(oxolan-2-ylmethoxy)ethanone
CID 154566913
2-ethoxy-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 56879436
1-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97096911
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95220003
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95779059
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 129328750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone (CID 125154757) is 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone is CN(C)c1ncnc2c1CCN(C(=O)COC[C@@H]1CCCO1)C2.
What is the InChIKey of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
The InChIKey is BSWIRRGLFRIXFV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)16-13-5-6-20(8-14(13)17-11-18-16)15(21)10-22-9-12-4-3-7-23-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone?
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone has a molecular weight of 320.39 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone is sourced from PubChem (CID 125154757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).