2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one

C10H16N4O3 — CID 135545333

IUPAC2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)OCC(CNc2cc(=O)[nH]c(N)n2)O1
InChIInChI=1S/C10H16N4O3/c1-10(2)16-5-6(17-10)4-12-7-3-8(15)14-9(11)13-7/h3,6H,4-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyIUGVXIGDIPKMAX-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.08
Rot. Bonds3

About 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one

2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 135545333) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID135545333
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)OCC(CNc2cc(=O)[nH]c(N)n2)O1
InChIInChI=1S/C10H16N4O3/c1-10(2)16-5-6(17-10)4-12-7-3-8(15)14-9(11)13-7/h3,6H,4-5H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyIUGVXIGDIPKMAX-UHFFFAOYSA-N
XLogP-0.08
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-{[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]amino}-[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
CID 166643248
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136713901
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136713903
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136713906
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136713907
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136713909
5-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136998902

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 135545333) is 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one is CC1(C)OCC(CNc2cc(=O)[nH]c(N)n2)O1.
What is the InChIKey of 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is IUGVXIGDIPKMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2)16-5-6(17-10)4-12-7-3-8(15)14-9(11)13-7/h3,6H,4-5H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135545333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).