3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione

C18H18N4O3 — CID 167968805

IUPAC3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(CCc3cnc(C4CC4)nc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H18N4O3/c1-25-13-4-5-14-15(8-13)21-18(24)22(17(14)23)7-6-11-9-19-16(20-10-11)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyYFTUOQPPWOHFAI-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.61
Rot. Bonds5

About 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione

3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione (PubChem CID 167968805) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione
PubChem CID167968805
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(CCc3cnc(C4CC4)nc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H18N4O3/c1-25-13-4-5-14-15(8-13)21-18(24)22(17(14)23)7-6-11-9-19-16(20-10-11)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,21,24)
InChIKeyYFTUOQPPWOHFAI-UHFFFAOYSA-N
XLogP1.61
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
CID 53061396
3-(2,8-dioxaspiro[4.5]decan-3-ylmethyl)-7-methoxy-1H-quinazoline-2,4-dione
CID 167831618
3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
CID 118869707
3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
CID 170981715
N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
2-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-7H-purin-8-one
CID 175808741
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 170392769
3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 3756947

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione (CID 167968805) is 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione is COc1ccc2c(=O)n(CCc3cnc(C4CC4)nc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is YFTUOQPPWOHFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-13-4-5-14-15(8-13)21-18(24)22(17(14)23)7-6-11-9-19-16(20-10-11)12-2-3-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,21,24).
What are the key properties of 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione?
3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 338.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-7-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167968805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).