2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine

C16H29N3O — CID 62757838

IUPAC2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1c(C)nc(C(C)(C)C)nc1C
InChIInChI=1S/C16H29N3O/c1-11(10-17-8-9-20-7)14-12(2)18-15(16(4,5)6)19-13(14)3/h11,17H,8-10H2,1-7H3
InChIKeySOWGUHQKOBQCJQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.73
Rot. Bonds6

About 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine

2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62757838) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62757838
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1c(C)nc(C(C)(C)C)nc1C
InChIInChI=1S/C16H29N3O/c1-11(10-17-8-9-20-7)14-12(2)18-15(16(4,5)6)19-13(14)3/h11,17H,8-10H2,1-7H3
InChIKeySOWGUHQKOBQCJQ-UHFFFAOYSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.73
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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Related Compounds

2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 80630958
2-[2-(furan-2-yl)-4,6-dimethylpyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62757289
2-[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
CID 62756194
2-[2-(2-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 62758023
N-(2-methoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041082
N-[(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 62746709
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
1-N-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 62543799
2-(2-chlorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 66438264
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine (CID 62757838) is 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)c1c(C)nc(C(C)(C)C)nc1C.
What is the InChIKey of 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is SOWGUHQKOBQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(10-17-8-9-20-7)14-12(2)18-15(16(4,5)6)19-13(14)3/h11,17H,8-10H2,1-7H3.
What are the key properties of 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine?
2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4,6-dimethylpyrimidin-5-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62757838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).