1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine

C12H19N3O2 — CID 43552487

IUPAC1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCC1CCC1
InChIInChI=1S/C12H19N3O2/c1-16-11-10(12(17-2)15-8-14-11)7-13-6-9-4-3-5-9/h8-9,13H,3-7H2,1-2H3
InChIKeyPHHJNFDCZHBBJO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.38
Rot. Bonds6

About 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine

1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine (PubChem CID 43552487) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
PubChem CID43552487
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCC1CCC1
InChIInChI=1S/C12H19N3O2/c1-16-11-10(12(17-2)15-8-14-11)7-13-6-9-4-3-5-9/h8-9,13H,3-7H2,1-2H3
InChIKeyPHHJNFDCZHBBJO-UHFFFAOYSA-N
XLogP1.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine (CID 43552487) is 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine is COc1ncnc(OC)c1CNCC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The InChIKey is PHHJNFDCZHBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-11-10(12(17-2)15-8-14-11)7-13-6-9-4-3-5-9/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 43552487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).