5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine

C14H24BrN3O — CID 66307013

IUPAC5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCCOC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-16-13-11(15)12(14(2,3)4)17-10(18-13)8-7-9-19-5/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyVFYGYAJPTLTQNY-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.55
Rot. Bonds6

About 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 66307013) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID66307013
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCCOC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-6-16-13-11(15)12(14(2,3)4)17-10(18-13)8-7-9-19-5/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyVFYGYAJPTLTQNY-UHFFFAOYSA-N
XLogP3.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
CID 106815295
5-bromo-N-ethyl-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66292092
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 66307012
5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66304640
2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 79411802
5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 66307413
5-bromo-N-ethyl-2-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 66294729
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
5-bromo-6-tert-butyl-2-propylpyrimidin-4-amine
CID 66307395
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine (CID 66307013) is 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine is CCNc1nc(CCCOC)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is VFYGYAJPTLTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-6-16-13-11(15)12(14(2,3)4)17-10(18-13)8-7-9-19-5/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 330.27 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 66307013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).