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

C14H23N5O2 — CID 56868073

IUPAC1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCO)C1
InChIInChI=1S/C14H23N5O2/c1-10(21)19-6-5-11-12(9-19)15-14(17(2)3)16-13(11)18(4)7-8-20/h20H,5-9H2,1-4H3
InChIKeyXDTLLKNTKMMGDD-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.12
Rot. Bonds4

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

1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56868073) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56868073
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCO)C1
InChIInChI=1S/C14H23N5O2/c1-10(21)19-6-5-11-12(9-19)15-14(17(2)3)16-13(11)18(4)7-8-20/h20H,5-9H2,1-4H3
InChIKeyXDTLLKNTKMMGDD-UHFFFAOYSA-N
XLogP-0.12
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56867377
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
1-{2-[2,4-bis(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}piperidin-4-ol
CID 56872378
7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-[3-(tetrahydrofuran-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56872517
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
7-[(isopropylthio)acetyl]-N,N,N',N'-tetramethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56878155
7-(Ethoxyacetyl)-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56879436
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 56912768
1-[2-[6-(2-hydroxyethyl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 118747438

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56868073) is 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(N(C)C)nc2N(C)CCO)C1.
What is the InChIKey of 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is XDTLLKNTKMMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(21)19-6-5-11-12(9-19)15-14(17(2)3)16-13(11)18(4)7-8-20/h20H,5-9H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56868073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).