2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine

C18H31N3O2 — CID 133402718

IUPAC2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CC(C)(OC)C2(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-16(2,3)15-19-12(11-22-7)9-14(21-15)20-13-10-18(6,23-8)17(13,4)5/h9,13H,10-11H2,1-8H3,(H,19,20,21)
InChIKeyNHZTXGJACFRYEA-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.54
Rot. Bonds5

About 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine (PubChem CID 133402718) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
PubChem CID133402718
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CC(C)(OC)C2(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-16(2,3)15-19-12(11-22-7)9-14(21-15)20-13-10-18(6,23-8)17(13,4)5/h9,13H,10-11H2,1-8H3,(H,19,20,21)
InChIKeyNHZTXGJACFRYEA-UHFFFAOYSA-N
XLogP3.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,4R)-4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 133402823
2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412619
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
CID 133412286
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-tert-butyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133402443
6-(methoxymethyl)-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79198529

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine (CID 133402718) is 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine is COCc1cc(NC2CC(C)(OC)C2(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine?
The InChIKey is NHZTXGJACFRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-16(2,3)15-19-12(11-22-7)9-14(21-15)20-13-10-18(6,23-8)17(13,4)5/h9,13H,10-11H2,1-8H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine has a molecular weight of 321.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 133402718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).