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

C11H17N3O2 — CID 43552118

IUPAC1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCC1CC1
InChIInChI=1S/C11H17N3O2/c1-15-10-9(6-12-5-8-3-4-8)11(16-2)14-7-13-10/h7-8,12H,3-6H2,1-2H3
InChIKeyYNRRLLIOUDPQLH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.99
Rot. Bonds6

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

1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine (PubChem CID 43552118) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
PubChem CID43552118
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
SMILESCOc1ncnc(OC)c1CNCC1CC1
InChIInChI=1S/C11H17N3O2/c1-15-10-9(6-12-5-8-3-4-8)11(16-2)14-7-13-10/h7-8,12H,3-6H2,1-2H3
InChIKeyYNRRLLIOUDPQLH-UHFFFAOYSA-N
XLogP0.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine (CID 43552118) is 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine is COc1ncnc(OC)c1CNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
The InChIKey is YNRRLLIOUDPQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-10-9(6-12-5-8-3-4-8)11(16-2)14-7-13-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine?
1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine has a molecular weight of 223.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 43552118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).