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

C12H19F2N3O — CID 133402707

IUPAC2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC(F)F)nc(C(C)(C)C)n1
InChIInChI=1S/C12H19F2N3O/c1-12(2,3)11-16-8(7-18-4)5-10(17-11)15-6-9(13)14/h5,9H,6-7H2,1-4H3,(H,15,16,17)
InChIKeyNMJDZEWDYXCNIK-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.60
Rot. Bonds5

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

2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133402707) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133402707
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC(F)F)nc(C(C)(C)C)n1
InChIInChI=1S/C12H19F2N3O/c1-12(2,3)11-16-8(7-18-4)5-10(17-11)15-6-9(13)14/h5,9H,6-7H2,1-4H3,(H,15,16,17)
InChIKeyNMJDZEWDYXCNIK-UHFFFAOYSA-N
XLogP2.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 75426536
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
6-(methoxymethyl)-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79198529
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
N-[(3-bromo-4-methoxyphenyl)methyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
CID 133401021

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 133402707) is 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCC(F)F)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is NMJDZEWDYXCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-12(2,3)11-16-8(7-18-4)5-10(17-11)15-6-9(13)14/h5,9H,6-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 259.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133402707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).