5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one

C11H18N4O3 — CID 136999433

IUPAC5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(O)CCOCC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O3/c1-15(6-11(17)2-4-18-5-3-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyMBXQOGRHHYJTEF-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.67
Rot. Bonds3

About 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one

5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one (PubChem CID 136999433) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
PubChem CID136999433
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
SMILESCN(CC1(O)CCOCC1)c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O3/c1-15(6-11(17)2-4-18-5-3-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyMBXQOGRHHYJTEF-UHFFFAOYSA-N
XLogP-0.67
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 114952196
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one (CID 136999433) is 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one is CN(CC1(O)CCOCC1)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
The InChIKey is MBXQOGRHHYJTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15(6-11(17)2-4-18-5-3-11)9-8(12)10(16)14-7-13-9/h7,17H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136999433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).