1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one

C11H17N3O7 — CID 140598753

IUPAC1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one
SMILESO=c1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccn1CO
InChIInChI=1S/C11H17N3O7/c15-3-5-7(17)8(18)9(19)10(21-5)12-6-1-2-14(4-16)11(20)13-6/h1-2,5,7-10,15-19H,3-4H2,(H,12,13,20)/t5-,7-,8+,9-,10-/m1/s1
InChIKeyREQCOPOETTXYEF-SVFDORGDSA-N
MW303.27 g/mol
LogP-3.60
Rot. Bonds4

About 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one

1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one (PubChem CID 140598753) has the molecular formula C11H17N3O7 and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one
PubChem CID140598753
Molecular FormulaC11H17N3O7
Molecular Weight303.27 g/mol
Exact Mass303.11
IUPAC Name1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one
SMILESO=c1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccn1CO
InChIInChI=1S/C11H17N3O7/c15-3-5-7(17)8(18)9(19)10(21-5)12-6-1-2-14(4-16)11(20)13-6/h1-2,5,7-10,15-19H,3-4H2,(H,12,13,20)/t5-,7-,8+,9-,10-/m1/s1
InChIKeyREQCOPOETTXYEF-SVFDORGDSA-N
XLogP-3.60
TPSA157.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.27
LogP ≤ 5-3.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diamino-6-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyrimidin-4-one
CID 57002864
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 59035000
2-methylsulfanyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one
CID 136795273
(2S,5R)-2-[4-[[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]anilino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11836445
6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
CID 57112270
[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]phosphonic acid
CID 10087535
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]anilino]oxane-3,4,5-triol
CID 124766547
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
4-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrrolo[3,4-c]pyridine-1,3-dione
CID 10641900
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(prop-2-ynylamino)pyrimidin-2-one
CID 158523456
4-anilino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 58192982

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one?
The IUPAC name of 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one (CID 140598753) is 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one?
The canonical SMILES for 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one is O=c1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccn1CO.
What is the InChIKey of 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one?
The InChIKey is REQCOPOETTXYEF-SVFDORGDSA-N. The full InChI is InChI=1S/C11H17N3O7/c15-3-5-7(17)8(18)9(19)10(21-5)12-6-1-2-14(4-16)11(20)13-6/h1-2,5,7-10,15-19H,3-4H2,(H,12,13,20)/t5-,7-,8+,9-,10-/m1/s1.
What are the key properties of 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one?
1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one has a molecular weight of 303.27 g/mol, XLogP of -3.60, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-2-one is sourced from PubChem (CID 140598753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).