4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one

C13H17N3O3 — CID 136975015

IUPAC4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)CCc2ccco2)nc[nH]c1=O
InChIInChI=1S/C13H17N3O3/c1-9(5-6-10-4-3-7-19-10)16-12-11(18-2)13(17)15-8-14-12/h3-4,7-9H,5-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyMXUZDTUYNQITLD-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.80
Rot. Bonds6

About 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one

4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136975015) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136975015
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)CCc2ccco2)nc[nH]c1=O
InChIInChI=1S/C13H17N3O3/c1-9(5-6-10-4-3-7-19-10)16-12-11(18-2)13(17)15-8-14-12/h3-4,7-9H,5-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyMXUZDTUYNQITLD-UHFFFAOYSA-N
XLogP1.80
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(1-pyrazol-1-ylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 137016246
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-methylpyrimidin-4-amine
CID 63727965
2-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]-3H-quinazolin-4-one
CID 136747972
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 92877004
2-N-[4-(furan-2-yl)butan-2-yl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804354
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552
4-[(2-amino-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008394
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136975015) is 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)CCc2ccco2)nc[nH]c1=O.
What is the InChIKey of 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MXUZDTUYNQITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9(5-6-10-4-3-7-19-10)16-12-11(18-2)13(17)15-8-14-12/h3-4,7-9H,5-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 263.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)butan-2-ylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136975015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).