5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane

C12H21N3O3 — CID 145084626

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane
SMILESCC.CC1(C)OCC(COc2cnc(N)nc2)O1
InChIInChI=1S/C10H15N3O3.C2H6/c1-10(2)15-6-8(16-10)5-14-7-3-12-9(11)13-4-7;1-2/h3-4,8H,5-6H2,1-2H3,(H2,11,12,13);1-2H3
InChIKeyTYYJPMOWTPOVQO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.62
Rot. Bonds3

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane (PubChem CID 145084626) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane
PubChem CID145084626
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane
SMILESCC.CC1(C)OCC(COc2cnc(N)nc2)O1
InChIInChI=1S/C10H15N3O3.C2H6/c1-10(2)15-6-8(16-10)5-14-7-3-12-9(11)13-4-7;1-2/h3-4,8H,5-6H2,1-2H3,(H2,11,12,13);1-2H3
InChIKeyTYYJPMOWTPOVQO-UHFFFAOYSA-N
XLogP1.62
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridin-2-amine
CID 121350448
5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrazin-2-amine
CID 121350496
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58278984
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]aniline
CID 58154795
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58552948
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridazin-3-amine;ethane
CID 145084599
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine-2,4-diamine
CID 22639936
4,6-dichloro-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidine;ethane
CID 156832181
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
4-chloropyrimidin-2-amine;(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine
CID 160745458
2-chloropyrimidin-5-amine;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-5-amine
CID 159220680

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane (CID 145084626) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane is CC.CC1(C)OCC(COc2cnc(N)nc2)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane?
The InChIKey is TYYJPMOWTPOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.C2H6/c1-10(2)15-6-8(16-10)5-14-7-3-12-9(11)13-4-7;1-2/h3-4,8H,5-6H2,1-2H3,(H2,11,12,13);1-2H3.
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane has a molecular weight of 255.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyrimidin-2-amine;ethane is sourced from PubChem (CID 145084626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).