(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine

C11H17N3O2 — CID 105480566

IUPAC(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine
SMILESCOc1nc(OC)c(CN)c(C2CCC2)n1
InChIInChI=1S/C11H17N3O2/c1-15-10-8(6-12)9(7-4-3-5-7)13-11(14-10)16-2/h7H,3-6,12H2,1-2H3
InChIKeyYTMYVVJNLYUKDG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.22
Rot. Bonds4

About (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine

(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine (PubChem CID 105480566) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine
PubChem CID105480566
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine
SMILESCOc1nc(OC)c(CN)c(C2CCC2)n1
InChIInChI=1S/C11H17N3O2/c1-15-10-8(6-12)9(7-4-3-5-7)13-11(14-10)16-2/h7H,3-6,12H2,1-2H3
InChIKeyYTMYVVJNLYUKDG-UHFFFAOYSA-N
XLogP1.22
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine?
The IUPAC name of (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine (CID 105480566) is (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine?
The canonical SMILES for (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine is COc1nc(OC)c(CN)c(C2CCC2)n1.
What is the InChIKey of (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine?
The InChIKey is YTMYVVJNLYUKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-10-8(6-12)9(7-4-3-5-7)13-11(14-10)16-2/h7H,3-6,12H2,1-2H3.
What are the key properties of (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine?
(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine has a molecular weight of 223.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine is sourced from PubChem (CID 105480566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).