6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione

C12H11N3O3 — CID 121010834

IUPAC6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione
SMILESC#CCn1c(=O)cc(N)n(Cc2ccco2)c1=O
InChIInChI=1S/C12H11N3O3/c1-2-5-14-11(16)7-10(13)15(12(14)17)8-9-4-3-6-18-9/h1,3-4,6-7H,5,8,13H2
InChIKeyNDZYMSFIQGCKPV-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.13
Rot. Bonds3

About 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione

6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione (PubChem CID 121010834) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione
PubChem CID121010834
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione
SMILESC#CCn1c(=O)cc(N)n(Cc2ccco2)c1=O
InChIInChI=1S/C12H11N3O3/c1-2-5-14-11(16)7-10(13)15(12(14)17)8-9-4-3-6-18-9/h1,3-4,6-7H,5,8,13H2
InChIKeyNDZYMSFIQGCKPV-UHFFFAOYSA-N
XLogP-0.13
TPSA83.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-(2-tert-butylphenyl)-3-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 176902830
6-amino-3-ethyl-1-(furan-2-ylmethyl)-5-nitrosopyrimidine-2,4-dione
CID 121220119
6-amino-1-(furan-2-ylmethyl)-5-nitroso-3-propylpyrimidine-2,4-dione
CID 121012222
2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 4614899
6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
CID 39101039
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
2-(4,6-dimethylpyrimidin-2-yl)-5-(furan-2-ylmethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 16646021
(1S,2R,3R,7R,8R,9R,10S,14S)-5,12-bis(furan-2-ylmethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 98054016
3-(furan-2-ylmethyl)-4-oxoquinazoline-2-carbonitrile
CID 86081653
5-ethyl-4-formyl-1-(furan-2-ylmethyl)pyrrole-2-carbonitrile
CID 100588940
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
CID 60773320
2-[[5-amino-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64572197

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione (CID 121010834) is 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione is C#CCn1c(=O)cc(N)n(Cc2ccco2)c1=O.
What is the InChIKey of 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione?
The InChIKey is NDZYMSFIQGCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-2-5-14-11(16)7-10(13)15(12(14)17)8-9-4-3-6-18-9/h1,3-4,6-7H,5,8,13H2.
What are the key properties of 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione?
6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione has a molecular weight of 245.24 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(furan-2-ylmethyl)-3-prop-2-ynylpyrimidine-2,4-dione is sourced from PubChem (CID 121010834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).