5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one

C11H18N4O4 — CID 143639835

IUPAC5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one
SMILESC=C(CNC(CO)C(O)CO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O4/c1-6(2-13-7(3-16)8(18)4-17)10-9(12)11(19)15-5-14-10/h5,7-8,13,16-18H,1-4,12H2,(H,14,15,19)
InChIKeyFVDFWMNRJNLYHZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP-2.33
Rot. Bonds7

About 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one

5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one (PubChem CID 143639835) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one
PubChem CID143639835
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one
SMILESC=C(CNC(CO)C(O)CO)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O4/c1-6(2-13-7(3-16)8(18)4-17)10-9(12)11(19)15-5-14-10/h5,7-8,13,16-18H,1-4,12H2,(H,14,15,19)
InChIKeyFVDFWMNRJNLYHZ-UHFFFAOYSA-N
XLogP-2.33
TPSA144.49 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.29
LogP ≤ 5-2.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

7-[[[(2R,3R)-1,3,4-trihydroxybutan-2-yl]amino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135723761
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976247
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-[chloro(iodo)amino]-1H-pyrimidin-6-one
CID 166673253
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one (CID 143639835) is 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one is C=C(CNC(CO)C(O)CO)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one?
The InChIKey is FVDFWMNRJNLYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-6(2-13-7(3-16)8(18)4-17)10-9(12)11(19)15-5-14-10/h5,7-8,13,16-18H,1-4,12H2,(H,14,15,19).
What are the key properties of 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one has a molecular weight of 270.29 g/mol, XLogP of -2.33, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(1,3,4-trihydroxybutan-2-ylamino)prop-1-en-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 143639835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).