2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

C14H20N4O2 — CID 133402820

IUPAC2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccon2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-16-11(9-19-4)7-12(17-13)15-8-10-5-6-20-18-10/h5-7H,8-9H2,1-4H3,(H,15,16,17)
InChIKeyFGSCHJFJNNAQLI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds5

About 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 133402820) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID133402820
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccon2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)13-16-11(9-19-4)7-12(17-13)15-8-10-5-6-20-18-10/h5-7H,8-9H2,1-4H3,(H,15,16,17)
InChIKeyFGSCHJFJNNAQLI-UHFFFAOYSA-N
XLogP2.52
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-(methoxymethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133402371
2-tert-butyl-N-[[4-(difluoromethyl)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133474597
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133404924
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-N-[(4-chloro-2-methoxyphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133401633
N-[(3-bromo-4-methoxyphenyl)methyl]-2-tert-butyl-6-(methoxymethyl)pyrimidin-4-amine
CID 133401021
2-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-4-methoxyphenol
CID 133401878
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
2-tert-butyl-6-(methoxymethyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 133401193
4-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133402394
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (CID 133402820) is 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is COCc1cc(NCc2ccon2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is FGSCHJFJNNAQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)13-16-11(9-19-4)7-12(17-13)15-8-10-5-6-20-18-10/h5-7H,8-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 133402820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).