(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

C23H20N4O4 — CID 51860514

IUPAC(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([C@H]3C[C@@H]3c3ccccc3)o1)C(C#N)=C(N)O2
InChIInChI=1S/C23H20N4O4/c1-26-21(28)19-18(15(11-24)20(25)31-22(19)27(2)23(26)29)17-9-8-16(30-17)14-10-13(14)12-6-4-3-5-7-12/h3-9,13-14,18H,10,25H2,1-2H3/t13-,14+,18+/m1/s1
InChIKeyMQISZXRMKZHQOH-GLJUWKHASA-N
MW416.44 g/mol
LogP2.17
Rot. Bonds3

About (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 51860514) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID51860514
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([C@H]3C[C@@H]3c3ccccc3)o1)C(C#N)=C(N)O2
InChIInChI=1S/C23H20N4O4/c1-26-21(28)19-18(15(11-24)20(25)31-22(19)27(2)23(26)29)17-9-8-16(30-17)14-10-13(14)12-6-4-3-5-7-12/h3-9,13-14,18H,10,25H2,1-2H3/t13-,14+,18+/m1/s1
InChIKeyMQISZXRMKZHQOH-GLJUWKHASA-N
XLogP2.17
TPSA116.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
(5S)-7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 827631
7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 616306
(5S)-7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 684501
7-amino-5-(2,6-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 4625785
7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
7-amino-5-[4-[2-cyanoethyl(methyl)amino]phenyl]-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3517183
2-amino-5,8-dimethyl-4-(3-nitrophenyl)-7-oxo-4H-pyrano[2,3-b]pyridine-3,6-dicarbonitrile
CID 133188581
(4R)-2-amino-4-(4-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611120
2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3830531
6-amino-3-methyl-4-[5-(2-nitrophenyl)furan-2-yl]-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 2918720
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 14168965

Frequently Asked Questions

What is the IUPAC name of (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile (CID 51860514) is (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile is Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([C@H]3C[C@@H]3c3ccccc3)o1)C(C#N)=C(N)O2.
What is the InChIKey of (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is MQISZXRMKZHQOH-GLJUWKHASA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26-21(28)19-18(15(11-24)20(25)31-22(19)27(2)23(26)29)17-9-8-16(30-17)14-10-13(14)12-6-4-3-5-7-12/h3-9,13-14,18H,10,25H2,1-2H3/t13-,14+,18+/m1/s1.
What are the key properties of (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 416.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 51860514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).