N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine

C11H17N3O2 — CID 104772350

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC2COC(C)(C)O2)nc1
InChIInChI=1S/C11H17N3O2/c1-8-4-12-10(13-5-8)14-6-9-7-15-11(2,3)16-9/h4-5,9H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyPBUZJGHNBYJCTC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.35
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine (PubChem CID 104772350) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
PubChem CID104772350
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NCC2COC(C)(C)O2)nc1
InChIInChI=1S/C11H17N3O2/c1-8-4-12-10(13-5-8)14-6-9-7-15-11(2,3)16-9/h4-5,9H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyPBUZJGHNBYJCTC-UHFFFAOYSA-N
XLogP1.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine (CID 104772350) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCC2COC(C)(C)O2)nc1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine?
The InChIKey is PBUZJGHNBYJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-12-10(13-5-8)14-6-9-7-15-11(2,3)16-9/h4-5,9H,6-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 104772350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).