6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione

C14H18N4O3 — CID 39101039

IUPAC6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
SMILESNc1c(CN2CCCC2)c(=O)[nH]c(=O)n1Cc1ccco1
InChIInChI=1S/C14H18N4O3/c15-12-11(9-17-5-1-2-6-17)13(19)16-14(20)18(12)8-10-4-3-7-21-10/h3-4,7H,1-2,5-6,8-9,15H2,(H,16,19,20)
InChIKeyVVQRYFDBQHCSMC-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.36
Rot. Bonds4

About 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 39101039) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID39101039
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
SMILESNc1c(CN2CCCC2)c(=O)[nH]c(=O)n1Cc1ccco1
InChIInChI=1S/C14H18N4O3/c15-12-11(9-17-5-1-2-6-17)13(19)16-14(20)18(12)8-10-4-3-7-21-10/h3-4,7H,1-2,5-6,8-9,15H2,(H,16,19,20)
InChIKeyVVQRYFDBQHCSMC-UHFFFAOYSA-N
XLogP0.36
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(diethylaminomethyl)-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 39101032
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 7918639
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide
CID 16549494
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
7-(furan-2-ylmethyl)-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935893
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 135895118
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-bromo-N-(furan-2-ylmethyl)benzamide
CID 17435455
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55336951

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione (CID 39101039) is 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione is Nc1c(CN2CCCC2)c(=O)[nH]c(=O)n1Cc1ccco1.
What is the InChIKey of 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is VVQRYFDBQHCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-12-11(9-17-5-1-2-6-17)13(19)16-14(20)18(12)8-10-4-3-7-21-10/h3-4,7H,1-2,5-6,8-9,15H2,(H,16,19,20).
What are the key properties of 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 39101039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).