2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

C11H18ClN3O — CID 80948792

IUPAC2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-11(2,3)10-14-8(12)7-9(15-10)13-5-6-16-4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyZRZPJJAFXYRUCR-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.49
Rot. Bonds4

About 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 80948792) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID80948792
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-11(2,3)10-14-8(12)7-9(15-10)13-5-6-16-4/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyZRZPJJAFXYRUCR-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.49
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

N-(2-but-3-enoxyethyl)-2-tert-butyl-6-chloropyrimidin-4-amine
CID 106405828
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2-tert-butyl-6-chloro-N-pent-4-ynylpyrimidin-4-amine
CID 106223105
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80949365
2-chloro-N-(2-methoxyethyl)-6-propylpyrimidin-4-amine
CID 82460808
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (CID 80948792) is 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is ZRZPJJAFXYRUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-11(2,3)10-14-8(12)7-9(15-10)13-5-6-16-4/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 80948792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).