N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine

C14H25N3O2 — CID 82456699

IUPACN-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCOCc1nc(NC(C)(C)C)cc(OCC(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)8-19-13-7-11(17-14(3,4)5)15-12(16-13)9-18-6/h7,10H,8-9H2,1-6H3,(H,15,16,17)
InChIKeyJOHBZKMIDJTEIZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.87
Rot. Bonds6

About N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine

N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine (PubChem CID 82456699) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
PubChem CID82456699
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine
SMILESCOCc1nc(NC(C)(C)C)cc(OCC(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)8-19-13-7-11(17-14(3,4)5)15-12(16-13)9-18-6/h7,10H,8-9H2,1-6H3,(H,15,16,17)
InChIKeyJOHBZKMIDJTEIZ-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-(2-methoxyethoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456727
N-[2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 82456706
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456714
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
N-tert-butyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82453563
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
6-ethoxy-N-(2-methoxyethyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82456633
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
N-butan-2-yl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454213
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine (CID 82456699) is N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine is COCc1nc(NC(C)(C)C)cc(OCC(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
The InChIKey is JOHBZKMIDJTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)8-19-13-7-11(17-14(3,4)5)15-12(16-13)9-18-6/h7,10H,8-9H2,1-6H3,(H,15,16,17).
What are the key properties of N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine?
N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82456699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).