6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C19H17N5O3 — CID 53333266

IUPAC6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCc1cccc(-n2c(=O)[nH]c3nc(NCc4ccco4)ncc3c2=O)c1C
InChIInChI=1S/C19H17N5O3/c1-11-5-3-7-15(12(11)2)24-17(25)14-10-21-18(22-16(14)23-19(24)26)20-9-13-6-4-8-27-13/h3-8,10H,9H2,1-2H3,(H2,20,21,22,23,26)
InChIKeyBWCJQYUWOZSERW-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.29
Rot. Bonds4

About 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 53333266) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID53333266
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCc1cccc(-n2c(=O)[nH]c3nc(NCc4ccco4)ncc3c2=O)c1C
InChIInChI=1S/C19H17N5O3/c1-11-5-3-7-15(12(11)2)24-17(25)14-10-21-18(22-16(14)23-19(24)26)20-9-13-6-4-8-27-13/h3-8,10H,9H2,1-2H3,(H2,20,21,22,23,26)
InChIKeyBWCJQYUWOZSERW-UHFFFAOYSA-N
XLogP2.29
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333259
6-(2,3-dimethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 95183327
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2584491
6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333355
6-(2,4-dimethylphenyl)-2-(2-thiophen-2-ylethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333364
2-[(3,5-difluorophenyl)methylamino]-6-(2-methoxyphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333322
6-(furan-2-ylmethyl)-2-(2-thiophen-2-ylethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333347
3-(2,3-dimethylphenyl)-1H-quinazoline-2,4-dione
CID 12845269
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677688
2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-6-(2-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 98194034
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346165

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 53333266) is 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is Cc1cccc(-n2c(=O)[nH]c3nc(NCc4ccco4)ncc3c2=O)c1C.
What is the InChIKey of 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is BWCJQYUWOZSERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11-5-3-7-15(12(11)2)24-17(25)14-10-21-18(22-16(14)23-19(24)26)20-9-13-6-4-8-27-13/h3-8,10H,9H2,1-2H3,(H2,20,21,22,23,26).
What are the key properties of 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 363.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-2-(furan-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53333266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).