N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide

C11H18N4O4 — CID 174150394

IUPACN-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide
SMILESCNC1=C(N(C=O)[C@H]2C[C@@H](O)C(CO)O2)NCN=C1
InChIInChI=1S/C11H18N4O4/c1-12-7-3-13-5-14-11(7)15(6-17)10-2-8(18)9(4-16)19-10/h3,6,8-10,12,14,16,18H,2,4-5H2,1H3/t8-,9?,10-/m1/s1
InChIKeySQMLEIFHPTYCNT-RCAUJQPQSA-N
MW270.29 g/mol
LogP-2.07
Rot. Bonds5

About N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide

N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide (PubChem CID 174150394) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide.

Molecular Properties

Compound NameN-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide
PubChem CID174150394
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide
SMILESCNC1=C(N(C=O)[C@H]2C[C@@H](O)C(CO)O2)NCN=C1
InChIInChI=1S/C11H18N4O4/c1-12-7-3-13-5-14-11(7)15(6-17)10-2-8(18)9(4-16)19-10/h3,6,8-10,12,14,16,18H,2,4-5H2,1H3/t8-,9?,10-/m1/s1
InChIKeySQMLEIFHPTYCNT-RCAUJQPQSA-N
XLogP-2.07
TPSA106.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1-[(Z)-3-oxoprop-1-enyl]urea
CID 156640153
1-[(E)-2-chloro-3-oxoprop-1-enyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylurea;difluoromethane
CID 144900733
(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
CID 178052092
1-[(1E)-3-fluoro-2-formylbuta-1,3-dienyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylurea
CID 121487195
N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
CID 58621937
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)pyrimidine-2,4-dione
CID 71371968
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;6-(methylamino)-1H-pyrimidin-2-one
CID 70587143
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide?
The IUPAC name of N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide (CID 174150394) is N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide.
What is the SMILES notation for N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide?
The canonical SMILES for N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide is CNC1=C(N(C=O)[C@H]2C[C@@H](O)C(CO)O2)NCN=C1.
What is the InChIKey of N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide?
The InChIKey is SQMLEIFHPTYCNT-RCAUJQPQSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-12-7-3-13-5-14-11(7)15(6-17)10-2-8(18)9(4-16)19-10/h3,6,8-10,12,14,16,18H,2,4-5H2,1H3/t8-,9?,10-/m1/s1.
What are the key properties of N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide?
N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide has a molecular weight of 270.29 g/mol, XLogP of -2.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-[5-(methylamino)-1,2-dihydropyrimidin-6-yl]formamide is sourced from PubChem (CID 174150394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).