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

C10H15N3O3 — CID 136713901

IUPAC4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)OCC(CNc2cc(=O)[nH]cn2)O1
InChIInChI=1S/C10H15N3O3/c1-10(2)15-5-7(16-10)4-11-8-3-9(14)13-6-12-8/h3,6-7H,4-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyOCVPEHHWMNURDB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.33
Rot. Bonds3

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

4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136713901) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136713901
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)OCC(CNc2cc(=O)[nH]cn2)O1
InChIInChI=1S/C10H15N3O3/c1-10(2)15-5-7(16-10)4-11-8-3-9(14)13-6-12-8/h3,6-7H,4-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyOCVPEHHWMNURDB-UHFFFAOYSA-N
XLogP0.33
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-amino-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 135545333
4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706905
4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706911
5-chloro-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136713902
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]-5-methoxy-1H-pyrimidin-6-one
CID 136713908
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136713909
4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820297
4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852197

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136713901) is 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one is CC1(C)OCC(CNc2cc(=O)[nH]cn2)O1.
What is the InChIKey of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OCVPEHHWMNURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2)15-5-7(16-10)4-11-8-3-9(14)13-6-12-8/h3,6-7H,4-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one?
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136713901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).