4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C19H21N5O4 — CID 91887118

IUPAC4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccccc1C1NC(=O)N(Cc2nncn2C(C)C)C2=C1C(=O)OC2
InChIInChI=1S/C19H21N5O4/c1-11(2)24-10-20-22-15(24)8-23-13-9-28-18(25)16(13)17(21-19(23)26)12-6-4-5-7-14(12)27-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,21,26)
InChIKeyDZTVVULDNPJWML-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.95
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 91887118) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID91887118
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccccc1C1NC(=O)N(Cc2nncn2C(C)C)C2=C1C(=O)OC2
InChIInChI=1S/C19H21N5O4/c1-11(2)24-10-20-22-15(24)8-23-13-9-28-18(25)16(13)17(21-19(23)26)12-6-4-5-7-14(12)27-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,21,26)
InChIKeyDZTVVULDNPJWML-UHFFFAOYSA-N
XLogP1.95
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 91887118) is 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is COc1ccccc1C1NC(=O)N(Cc2nncn2C(C)C)C2=C1C(=O)OC2.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DZTVVULDNPJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11(2)24-10-20-22-15(24)8-23-13-9-28-18(25)16(13)17(21-19(23)26)12-6-4-5-7-14(12)27-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,21,26).
What are the key properties of 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 383.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 91887118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).