6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione

C24H31N5O4 — CID 163362265

IUPAC6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(NCCCN3CCOCC3)c(Cc3ccccc3)c(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C24H31N5O4/c1-26-21-19(23(31)28(3)24(32)27(21)2)20(25-10-7-11-29-12-14-33-15-13-29)18(22(26)30)16-17-8-5-4-6-9-17/h4-6,8-9,25H,7,10-16H2,1-3H3
InChIKeyFBMIMGFELKALSP-UHFFFAOYSA-N
MW453.54 g/mol
LogP0.66
Rot. Bonds7

About 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione

6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163362265) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163362265
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(NCCCN3CCOCC3)c(Cc3ccccc3)c(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C24H31N5O4/c1-26-21-19(23(31)28(3)24(32)27(21)2)20(25-10-7-11-29-12-14-33-15-13-29)18(22(26)30)16-17-8-5-4-6-9-17/h4-6,8-9,25H,7,10-16H2,1-3H3
InChIKeyFBMIMGFELKALSP-UHFFFAOYSA-N
XLogP0.66
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Benzyl-5-ethyl-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 460919
6-Benzyl-5-ethyl-1-(2-methoxyethyl)uracil
CID 460920
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
CID 2499945
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide
CID 4221772
(6S)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-(2-phenylethyl)-1,6-dihydropyrimidin-2-one
CID 9548411
6-Benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 163362278
2-[6-methyl-5-(morpholine-4-carbonyl)-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
CID 46904002
(3E)-3-benzylidene-N-[butyl(methylsulfonyl)carbamoyl]-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 2314524
(3E)-3-benzylidene-N-[methyl(methylsulfonyl)carbamoyl]-2-morpholin-4-ylcyclopentene-1-carboxamide
CID 2316674
[6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 4281583
2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
CID 46903967
6-Benzyl-5-[2-(dimethylamino)ethylamino]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 163362269

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163362265) is 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(NCCCN3CCOCC3)c(Cc3ccccc3)c(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is FBMIMGFELKALSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-26-21-19(23(31)28(3)24(32)27(21)2)20(25-10-7-11-29-12-14-33-15-13-29)18(22(26)30)16-17-8-5-4-6-9-17/h4-6,8-9,25H,7,10-16H2,1-3H3.
What are the key properties of 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 453.54 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163362265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).