4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine

C12H21N3O — CID 58062811

IUPAC4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(CC(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)9-10-5-6-13-11(15-10)14-7-8-16-4/h5-6H,7-9H2,1-4H3,(H,13,14,15)
InChIKeyZOQQBTNBTYNQPF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine

4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 58062811) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID58062811
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(CC(C)(C)C)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)9-10-5-6-13-11(15-10)14-7-8-16-4/h5-6H,7-9H2,1-4H3,(H,13,14,15)
InChIKeyZOQQBTNBTYNQPF-UHFFFAOYSA-N
XLogP2.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine (CID 58062811) is 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nccc(CC(C)(C)C)n1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is ZOQQBTNBTYNQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)9-10-5-6-13-11(15-10)14-7-8-16-4/h5-6H,7-9H2,1-4H3,(H,13,14,15).
What are the key properties of 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 58062811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).