5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C10H16N4O3 — CID 137016650

IUPAC5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2nc[nH]c(=O)c2N)CCOC1
InChIInChI=1S/C10H16N4O3/c1-16-10(2-3-17-5-10)4-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyREYLGPYTADOOIF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.43
Rot. Bonds4

About 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016650) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016650
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2nc[nH]c(=O)c2N)CCOC1
InChIInChI=1S/C10H16N4O3/c1-16-10(2-3-17-5-10)4-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyREYLGPYTADOOIF-UHFFFAOYSA-N
XLogP-0.43
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675565
5-amino-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675575
5-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706908
5-amino-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954505
5-iodo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957246
5-bromo-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957248
4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136957249
5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976363
5-methoxy-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136976943
5-amino-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136977164
5-amino-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137011801
5-chloro-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016651

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 137016650) is 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is COC1(CNc2nc[nH]c(=O)c2N)CCOC1.
What is the InChIKey of 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is REYLGPYTADOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-16-10(2-3-17-5-10)4-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-methoxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).