4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C15H18N4O3 — CID 17393323

IUPAC4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(CCc1ccco1)Nc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H18N4O3/c1-10(6-7-11-5-4-8-22-11)17-13-12(9-16)14(20)19(3)15(21)18(13)2/h4-5,8,10,17H,6-7H2,1-3H3
InChIKeyNNALWQCTGJNPNC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.98
Rot. Bonds5

About 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 17393323) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID17393323
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(CCc1ccco1)Nc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H18N4O3/c1-10(6-7-11-5-4-8-22-11)17-13-12(9-16)14(20)19(3)15(21)18(13)2/h4-5,8,10,17H,6-7H2,1-3H3
InChIKeyNNALWQCTGJNPNC-UHFFFAOYSA-N
XLogP0.98
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202626
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
(2S)-2-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 120964582
4-[4-(furan-2-yl)butan-2-ylamino]benzenesulfonamide
CID 43478817
3-fluoro-5-[4-(furan-2-yl)butan-2-ylamino]-4-methylbenzonitrile
CID 43728448
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
4-chloro-5-[4-(furan-2-yl)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436029
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 51078312
4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114436028
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 17393323) is 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CC(CCc1ccco1)Nc1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is NNALWQCTGJNPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10(6-7-11-5-4-8-22-11)17-13-12(9-16)14(20)19(3)15(21)18(13)2/h4-5,8,10,17H,6-7H2,1-3H3.
What are the key properties of 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 302.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17393323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).