N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine

C11H18ClN3 — CID 130993339

IUPACN-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C(C)(C)C)ncc1CCl
InChIInChI=1S/C11H18ClN3/c1-8-9(6-12)7-13-10(14-8)15(5)11(2,3)4/h7H,6H2,1-5H3
InChIKeySREYRCKTOHIJKG-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.76
Rot. Bonds2

About N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine

N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 130993339) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
PubChem CID130993339
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C(C)(C)C)ncc1CCl
InChIInChI=1S/C11H18ClN3/c1-8-9(6-12)7-13-10(14-8)15(5)11(2,3)4/h7H,6H2,1-5H3
InChIKeySREYRCKTOHIJKG-UHFFFAOYSA-N
XLogP2.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-chloro-2-methylpropan-2-yl)-N,4-dimethylpyrimidin-2-amine
CID 131123171
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184319
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184048
5-(chloromethyl)-N,4-dimethyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 83183810
5-(chloromethyl)-N-(2-methoxyethyl)-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 83183892
5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83184931
5-(chloromethyl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpyrimidine
CID 102722607
5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112588533
N-(5-ethyl-4-methylpyrimidin-2-yl)-N,2,2-trimethylpropanamide
CID 130244875
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83184144

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine (CID 130993339) is N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine is Cc1nc(N(C)C(C)(C)C)ncc1CCl.
What is the InChIKey of N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is SREYRCKTOHIJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-9(6-12)7-13-10(14-8)15(5)11(2,3)4/h7H,6H2,1-5H3.
What are the key properties of N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine?
N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(chloromethyl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 130993339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).